
     Program PWSCF v.6.3MaX starts on 12Nov2018 at 14:14:25 

     This program is part of the open-source Quantum ESPRESSO suite
     for quantum simulation of materials; please cite
         "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
         "P. Giannozzi et al., J. Phys.:Condens. Matter 29 465901 (2017);
          URL http://www.quantum-espresso.org", 
     in publications or presentations arising from this work. More details at
     http://www.quantum-espresso.org/quote

     Serial multi-threaded version, running on    6 processor cores
     Waiting for input...
     Reading input from standard input

     Current dimensions of program PWSCF are:
     Max number of different atomic species (ntypx) = 10
     Max number of k-points (npk) =  40000
     Max angular momentum in pseudopotentials (lmaxx) =  3

     G-vector sticks info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Sum        2421    1211    345               125853    44449    6773



     bravais-lattice index     =            0
     lattice parameter (alat)  =       9.4543  a.u.
     unit-cell volume          =    1301.7113 (a.u.)^3
     number of atoms/cell      =           20
     number of atomic types    =            4
     number of electrons       =       172.00
     number of Kohn-Sham states=          103
     kinetic-energy cutoff     =      40.0000  Ry
     charge density cutoff     =     320.0000  Ry
     convergence threshold     =      1.0E-06
     mixing beta               =       0.4000
     number of iterations used =            8  plain     mixing
     Exchange-correlation      =  SLA  PZ   NOGX NOGC ( 1  1  0  0 0 0)

     celldm(1)=   9.454277  celldm(2)=   0.000000  celldm(3)=   0.000000
     celldm(4)=   0.000000  celldm(5)=   0.000000  celldm(6)=   0.000000

     crystal axes: (cart. coord. in units of alat)
               a(1) = (   1.000000  -0.000000   0.000000 )  
               a(2) = (  -0.000000   1.065978   0.000000 )  
               a(3) = (   0.000000   0.000000   1.445046 )  

     reciprocal axes: (cart. coord. in units 2 pi/alat)
               b(1) = (  1.000000  0.000000 -0.000000 )  
               b(2) = (  0.000000  0.938106 -0.000000 )  
               b(3) = ( -0.000000 -0.000000  0.692020 )  


     PseudoPot. # 1 for Y  read from file:
     /home/ngt/.burai/.pseudopot/y_lda_v1.4.uspp.F.UPF
     MD5 check sum: 386e4c7b01e09a9eff75f26d15d730de
     Pseudo is Ultrasoft + core correction, Zval = 11.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  885 points,  6 beta functions with: 
                l(1) =   0
                l(2) =   0
                l(3) =   1
                l(4) =   1
                l(5) =   2
                l(6) =   2
     Q(r) pseudized with  8 coefficients,  rinner =    1.200   1.200   1.200
                                                       1.200   1.200

     PseudoPot. # 2 for O  read from file:
     /home/ngt/.burai/.pseudopot/o_lda_v1.2.uspp.F.UPF
     MD5 check sum: 194b818514d2a7dbb603bb78519a4f40
     Pseudo is Ultrasoft + core correction, Zval =  6.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  737 points,  5 beta functions with: 
                l(1) =   0
                l(2) =   0
                l(3) =   1
                l(4) =   1
                l(5) =   2
     Q(r) pseudized with  8 coefficients,  rinner =    0.900   0.900   0.900
                                                       0.900   0.900

     PseudoPot. # 3 for Cr read from file:
     /home/ngt/.burai/.pseudopot/cr_lda_v1.5.uspp.F.UPF
     MD5 check sum: 2979c5bb56026098c20f4417282d6384
     Pseudo is Ultrasoft + core correction, Zval = 14.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  857 points,  6 beta functions with: 
                l(1) =   0
                l(2) =   0
                l(3) =   1
                l(4) =   1
                l(5) =   2
                l(6) =   2
     Q(r) pseudized with  8 coefficients,  rinner =    0.950   0.950   0.950
                                                       0.950   0.950

     PseudoPot. # 4 for Cr read from file:
     /home/ngt/.burai/.pseudopot/cr_lda_v1.5.uspp.F.UPF
     MD5 check sum: 2979c5bb56026098c20f4417282d6384
     Pseudo is Ultrasoft + core correction, Zval = 14.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  857 points,  6 beta functions with: 
                l(1) =   0
                l(2) =   0
                l(3) =   1
                l(4) =   1
                l(5) =   2
                l(6) =   2
     Q(r) pseudized with  8 coefficients,  rinner =    0.950   0.950   0.950
                                                       0.950   0.950

     atomic species   valence    mass     pseudopotential
        Y             11.00    88.90585     Y ( 1.00)
        O              6.00    15.99940     O ( 1.00)
        Cr2           14.00    51.99610     Cr( 1.00)
        Cr1           14.00    51.99610     Cr( 1.00)

     Starting magnetic structure 
     atomic species   magnetization
        Y            0.000
        O            0.000
        Cr2         -0.800
        Cr1          0.800


     Simplified LDA+U calculation (l_max = 2) with parameters (eV):
     atomic species    L          U    alpha       J0     beta
        Cr2            2     1.1302   0.0000   0.0000   0.0000
        Cr1            2     1.1302   0.0000   0.0000   0.0000



      4 Sym. Ops., with inversion, found ( 2 have fractional translation)


                                    s                        frac. trans.

      isym =  1     identity                                     

 cryst.   s( 1) = (     1          0          0      )
                  (     0          1          0      )
                  (     0          0          1      )

 cart.    s( 1) = (  1.0000000  0.0000000  0.0000000 )
                  ( -0.0000000  1.0000000  0.0000000 )
                  (  0.0000000  0.0000000  1.0000000 )


      isym =  2     180 deg rotation - cart. axis [0,0,1]        

 cryst.   s( 2) = (    -1          0          0      )    f =( -0.0000000 )
                  (     0         -1          0      )       (  0.0000010 )
                  (     0          0          1      )       (  0.5000000 )

 cart.    s( 2) = ( -1.0000000 -0.0000000  0.0000000 )    f =( -0.0000000 )
                  (  0.0000000 -1.0000000  0.0000000 )       (  0.0000011 )
                  (  0.0000000  0.0000000  1.0000000 )       (  0.7225228 )


      isym =  3     inversion                                    

 cryst.   s( 3) = (    -1          0          0      )
                  (     0         -1          0      )
                  (     0          0         -1      )

 cart.    s( 3) = ( -1.0000000 -0.0000000  0.0000000 )
                  (  0.0000000 -1.0000000  0.0000000 )
                  (  0.0000000  0.0000000 -1.0000000 )


      isym =  4     inv. 180 deg rotation - cart. axis [0,0,1]   

 cryst.   s( 4) = (     1          0          0      )    f =(  0.0000000 )
                  (     0          1          0      )       (  0.0000000 )
                  (     0          0         -1      )       (  0.5000000 )

 cart.    s( 4) = (  1.0000000  0.0000000  0.0000000 )    f =(  0.0000000 )
                  ( -0.0000000  1.0000000  0.0000000 )       (  0.0000000 )
                  (  0.0000000  0.0000000 -1.0000000 )       (  0.7225228 )


   Cartesian axes

     site n.     atom                  positions (alat units)
         1           Y   tau(   1) = (   0.0201699   0.9889455   1.0837843  )
         2           Y   tau(   2) = (   0.5201693   0.6100208   0.3612614  )
         3           Y   tau(   3) = (   0.4798295   0.4559568   1.0837843  )
         4           Y   tau(   4) = (   0.9798299   0.0770310   0.3612614  )
         5           Cr2 tau(   5) = (  -0.0000001   0.5329889   0.7225228  )
         6           Cr1 tau(   6) = (   0.5000000  -0.0000001   0.7225228  )
         7           Cr1 tau(   7) = (   0.5000000  -0.0000001   0.0000000  )
         8           Cr2 tau(   8) = (  -0.0000001   0.5329889   0.0000000  )
         9           O   tau(   9) = (   0.6894127   0.3227550   0.6477978  )
        10           O   tau(  10) = (   0.1894127   0.2102337   0.7972479  )
        11           O   tau(  11) = (   0.8105872   0.8557439   0.0747251  )
        12           O   tau(  12) = (   0.3105872   0.7432226   1.3703207  )
        13           O   tau(  13) = (   0.3105872   0.7432226   0.7972479  )
        14           O   tau(  14) = (   0.8105872   0.8557439   0.6477978  )
        15           O   tau(  15) = (   0.1894127   0.2102337   1.3703206  )
        16           O   tau(  16) = (   0.6894127   0.3227550   0.0747250  )
        17           O   tau(  17) = (   0.1069990   0.4999321   0.3612614  )
        18           O   tau(  18) = (   0.6069990   0.0330562   1.0837843  )
        19           O   tau(  19) = (   0.3930008   1.0329204   0.3612614  )
        20           O   tau(  20) = (   0.8930009   0.5660455   1.0837843  )

   Crystallographic axes

     site n.     atom                  positions (cryst. coord.)
         1           Y   tau(   1) = (  0.0201701  0.9277356  0.7500000  )
         2           Y   tau(   2) = (  0.5201694  0.5722642  0.2500000  )
         3           Y   tau(   3) = (  0.4798296  0.4277358  0.7500000  )
         4           Y   tau(   4) = (  0.9798299  0.0722634  0.2500000  )
         5           Cr2 tau(   5) = ( -0.0000000  0.5000000  0.5000000  )
         6           Cr1 tau(   6) = (  0.5000000 -0.0000000  0.5000000  )
         7           Cr1 tau(   7) = (  0.5000000 -0.0000000  0.0000000  )
         8           Cr2 tau(   8) = ( -0.0000000  0.5000000  0.0000000  )
         9           O   tau(   9) = (  0.6894127  0.3027784  0.4482888  )
        10           O   tau(  10) = (  0.1894127  0.1972215  0.5517112  )
        11           O   tau(  11) = (  0.8105873  0.8027785  0.0517112  )
        12           O   tau(  12) = (  0.3105873  0.6972216  0.9482888  )
        13           O   tau(  13) = (  0.3105873  0.6972216  0.5517112  )
        14           O   tau(  14) = (  0.8105873  0.8027785  0.4482888  )
        15           O   tau(  15) = (  0.1894127  0.1972215  0.9482888  )
        16           O   tau(  16) = (  0.6894127  0.3027784  0.0517112  )
        17           O   tau(  17) = (  0.1069990  0.4689893  0.2500000  )
        18           O   tau(  18) = (  0.6069990  0.0310103  0.7500000  )
        19           O   tau(  19) = (  0.3930010  0.9689887  0.2500000  )
        20           O   tau(  20) = (  0.8930010  0.5310107  0.7500000  )

     number of k points=    33  gaussian smearing, width (Ry)=  0.0100
                       cart. coord. in units 2pi/alat
        k(    1) = (   0.0000000   0.0000000   0.0000000), wk =   0.0100000
        k(    2) = (   0.0000000   0.0000000   0.1384039), wk =   0.0200000
        k(    3) = (   0.0000000   0.0000000   0.2768079), wk =   0.0200000
        k(    4) = (   0.0000000   0.2345265   0.0000000), wk =   0.0200000
        k(    5) = (   0.0000000   0.2345265   0.1384039), wk =   0.0400000
        k(    6) = (   0.0000000   0.2345265   0.2768079), wk =   0.0400000
        k(    7) = (  -0.0000001  -0.4690529   0.0000000), wk =   0.0100000
        k(    8) = (  -0.0000001  -0.4690529   0.1384039), wk =   0.0200000
        k(    9) = (  -0.0000001  -0.4690529   0.2768079), wk =   0.0200000
        k(   10) = (   0.2000000   0.0000000   0.0000000), wk =   0.0200000
        k(   11) = (   0.2000000   0.0000000   0.1384039), wk =   0.0400000
        k(   12) = (   0.2000000   0.0000000   0.2768079), wk =   0.0400000
        k(   13) = (   0.2000000   0.2345265   0.0000000), wk =   0.0200000
        k(   14) = (   0.2000000   0.2345265   0.1384039), wk =   0.0400000
        k(   15) = (   0.2000000   0.2345265   0.2768079), wk =   0.0400000
        k(   16) = (   0.1999999  -0.4690529   0.0000000), wk =   0.0200000
        k(   17) = (   0.1999999  -0.4690529   0.1384039), wk =   0.0400000
        k(   18) = (   0.1999999  -0.4690529   0.2768079), wk =   0.0400000
        k(   19) = (   0.4000000   0.0000001   0.0000000), wk =   0.0200000
        k(   20) = (   0.4000000   0.0000001   0.1384039), wk =   0.0400000
        k(   21) = (   0.4000000   0.0000001   0.2768079), wk =   0.0400000
        k(   22) = (   0.4000000   0.2345265   0.0000000), wk =   0.0200000
        k(   23) = (   0.4000000   0.2345265   0.1384039), wk =   0.0400000
        k(   24) = (   0.4000000   0.2345265   0.2768079), wk =   0.0400000
        k(   25) = (   0.3999999  -0.4690529   0.0000000), wk =   0.0200000
        k(   26) = (   0.3999999  -0.4690529   0.1384039), wk =   0.0400000
        k(   27) = (   0.3999999  -0.4690529   0.2768079), wk =   0.0400000
        k(   28) = (  -0.2000000   0.2345264   0.0000000), wk =   0.0200000
        k(   29) = (  -0.2000000   0.2345264  -0.1384039), wk =   0.0400000
        k(   30) = (  -0.2000000   0.2345264  -0.2768079), wk =   0.0400000
        k(   31) = (  -0.4000000   0.2345264   0.0000000), wk =   0.0200000
        k(   32) = (  -0.4000000   0.2345264  -0.1384039), wk =   0.0400000
        k(   33) = (  -0.4000000   0.2345264  -0.2768079), wk =   0.0400000

                       cryst. coord.
        k(    1) = (   0.0000000   0.0000000   0.0000000), wk =   0.0100000
        k(    2) = (   0.0000000   0.0000000   0.2000000), wk =   0.0200000
        k(    3) = (   0.0000000   0.0000000   0.4000000), wk =   0.0200000
        k(    4) = (  -0.0000000   0.2500000   0.0000000), wk =   0.0200000
        k(    5) = (  -0.0000000   0.2500000   0.2000000), wk =   0.0400000
        k(    6) = (  -0.0000000   0.2500000   0.4000000), wk =   0.0400000
        k(    7) = (   0.0000000  -0.5000000   0.0000000), wk =   0.0100000
        k(    8) = (   0.0000000  -0.5000000   0.2000000), wk =   0.0200000
        k(    9) = (   0.0000000  -0.5000000   0.4000000), wk =   0.0200000
        k(   10) = (   0.2000000  -0.0000000   0.0000000), wk =   0.0200000
        k(   11) = (   0.2000000  -0.0000000   0.2000000), wk =   0.0400000
        k(   12) = (   0.2000000  -0.0000000   0.4000000), wk =   0.0400000
        k(   13) = (   0.2000000   0.2500000   0.0000000), wk =   0.0200000
        k(   14) = (   0.2000000   0.2500000   0.2000000), wk =   0.0400000
        k(   15) = (   0.2000000   0.2500000   0.4000000), wk =   0.0400000
        k(   16) = (   0.2000000  -0.5000000   0.0000000), wk =   0.0200000
        k(   17) = (   0.2000000  -0.5000000   0.2000000), wk =   0.0400000
        k(   18) = (   0.2000000  -0.5000000   0.4000000), wk =   0.0400000
        k(   19) = (   0.4000000  -0.0000000   0.0000000), wk =   0.0200000
        k(   20) = (   0.4000000  -0.0000000   0.2000000), wk =   0.0400000
        k(   21) = (   0.4000000  -0.0000000   0.4000000), wk =   0.0400000
        k(   22) = (   0.4000000   0.2500000   0.0000000), wk =   0.0200000
        k(   23) = (   0.4000000   0.2500000   0.2000000), wk =   0.0400000
        k(   24) = (   0.4000000   0.2500000   0.4000000), wk =   0.0400000
        k(   25) = (   0.4000000  -0.5000000   0.0000000), wk =   0.0200000
        k(   26) = (   0.4000000  -0.5000000   0.2000000), wk =   0.0400000
        k(   27) = (   0.4000000  -0.5000000   0.4000000), wk =   0.0400000
        k(   28) = (  -0.2000000   0.2500000   0.0000000), wk =   0.0200000
        k(   29) = (  -0.2000000   0.2500000  -0.2000000), wk =   0.0400000
        k(   30) = (  -0.2000000   0.2500000  -0.4000000), wk =   0.0400000
        k(   31) = (  -0.4000000   0.2500000   0.0000000), wk =   0.0200000
        k(   32) = (  -0.4000000   0.2500000  -0.2000000), wk =   0.0400000
        k(   33) = (  -0.4000000   0.2500000  -0.4000000), wk =   0.0400000

     Dense  grid:   125853 G-vectors     FFT dimensions: (  54,  60,  80)

     Smooth grid:    44449 G-vectors     FFT dimensions: (  40,  45,  60)

     Dynamical RAM for                 wfc:       8.74 MB

     Dynamical RAM for     wfc (w. buffer):     585.58 MB

     Dynamical RAM for             U proj.:       1.70 MB

     Dynamical RAM for  U proj. (w. buff.):     113.70 MB

     Dynamical RAM for           str. fact:       7.68 MB

     Dynamical RAM for           local pot:       0.00 MB

     Dynamical RAM for          nlocal pot:      25.46 MB

     Dynamical RAM for                qrad:       8.64 MB

     Dynamical RAM for          rho,v,vnew:      23.39 MB

     Dynamical RAM for               rhoin:       7.80 MB

     Dynamical RAM for            rho*nmix:      61.45 MB

     Dynamical RAM for           G-vectors:       7.54 MB

     Dynamical RAM for          h,s,v(r/c):       0.49 MB

     Dynamical RAM for          <psi|beta>:       0.47 MB

     Dynamical RAM for      wfcinit/wfcrot:      24.21 MB

     Dynamical RAM for           addusdens:     382.15 MB

     Estimated static dynamical RAM per process >     862.70 MB

     Estimated max dynamical RAM per process >       1.22 GB
     Generating pointlists ...
     new r_m :   0.1764 (alat units)  1.6675 (a.u.) for type    1
     new r_m :   0.1560 (alat units)  1.4750 (a.u.) for type    2
     new r_m :   0.1560 (alat units)  1.4750 (a.u.) for type    3
     new r_m :   0.1560 (alat units)  1.4750 (a.u.) for type    4

     Check: negative/imaginary core charge=   -0.000004    0.000000

     Initial potential from superposition of free atoms
     Check: negative starting charge=(component1):   -0.002283
     Check: negative starting charge=(component2):   -0.002283

     starting charge  167.98485, renormalised to  172.00000

     negative rho (up, down):  2.337E-03 2.337E-03
 --- in v_hubbard ---
Hubbard energy    0.0000
 -------
     Number of +U iterations with fixed ns =  0
     Starting occupations:
 --- enter write_ns ---
 LDA+U parameters:
U( 3)     =  1.13018400
alpha( 3) =  0.00000000
U( 4)     =  1.13018400
alpha( 4) =  0.00000000
atom    5   Tr[ns(na)] (up, down, total) =   0.00000  5.00000  5.00000
   spin  1
    eigenvalues: 
  0.000  0.000  0.000  0.000  0.000
    eigenvectors:
  1.000  0.000  0.000  0.000  0.000
  0.000  1.000  0.000  0.000  0.000
  0.000  0.000  1.000  0.000  0.000
  0.000  0.000  0.000  1.000  0.000
  0.000  0.000  0.000  0.000  1.000
    occupations:
  0.000  0.000  0.000  0.000  0.000
  0.000  0.000  0.000  0.000  0.000
  0.000  0.000  0.000  0.000  0.000
  0.000  0.000  0.000  0.000  0.000
  0.000  0.000  0.000  0.000  0.000
   spin  2
    eigenvalues: 
  1.000  1.000  1.000  1.000  1.000
    eigenvectors:
  1.000  0.000  0.000  0.000  0.000
  0.000  1.000  0.000  0.000  0.000
  0.000  0.000  1.000  0.000  0.000
  0.000  0.000  0.000  1.000  0.000
  0.000  0.000  0.000  0.000  1.000
    occupations:
  1.000  0.000  0.000  0.000  0.000
  0.000  1.000  0.000  0.000  0.000
  0.000  0.000  1.000  0.000  0.000
  0.000  0.000  0.000  1.000  0.000
  0.000  0.000  0.000  0.000  1.000
atomic mag. moment =    -5.000000
atom    6   Tr[ns(na)] (up, down, total) =   5.00000  0.00000  5.00000
   spin  1
    eigenvalues: 
  1.000  1.000  1.000  1.000  1.000
    eigenvectors:
  1.000  0.000  0.000  0.000  0.000
  0.000  1.000  0.000  0.000  0.000
  0.000  0.000  1.000  0.000  0.000
  0.000  0.000  0.000  1.000  0.000
  0.000  0.000  0.000  0.000  1.000
    occupations:
  1.000  0.000  0.000  0.000  0.000
  0.000  1.000  0.000  0.000  0.000
  0.000  0.000  1.000  0.000  0.000
  0.000  0.000  0.000  1.000  0.000
  0.000  0.000  0.000  0.000  1.000
   spin  2
    eigenvalues: 
  0.000  0.000  0.000  0.000  0.000
    eigenvectors:
  1.000  0.000  0.000  0.000  0.000
  0.000  1.000  0.000  0.000  0.000
  0.000  0.000  1.000  0.000  0.000
  0.000  0.000  0.000  1.000  0.000
  0.000  0.000  0.000  0.000  1.000
    occupations:
  0.000  0.000  0.000  0.000  0.000
  0.000  0.000  0.000  0.000  0.000
  0.000  0.000  0.000  0.000  0.000
  0.000  0.000  0.000  0.000  0.000
  0.000  0.000  0.000  0.000  0.000
atomic mag. moment =     5.000000
atom    7   Tr[ns(na)] (up, down, total) =   5.00000  0.00000  5.00000
   spin  1
    eigenvalues: 
  1.000  1.000  1.000  1.000  1.000
    eigenvectors:
  1.000  0.000  0.000  0.000  0.000
  0.000  1.000  0.000  0.000  0.000
  0.000  0.000  1.000  0.000  0.000
  0.000  0.000  0.000  1.000  0.000
  0.000  0.000  0.000  0.000  1.000
    occupations:
  1.000  0.000  0.000  0.000  0.000
  0.000  1.000  0.000  0.000  0.000
  0.000  0.000  1.000  0.000  0.000
  0.000  0.000  0.000  1.000  0.000
  0.000  0.000  0.000  0.000  1.000
   spin  2
    eigenvalues: 
  0.000  0.000  0.000  0.000  0.000
    eigenvectors:
  1.000  0.000  0.000  0.000  0.000
  0.000  1.000  0.000  0.000  0.000
  0.000  0.000  1.000  0.000  0.000
  0.000  0.000  0.000  1.000  0.000
  0.000  0.000  0.000  0.000  1.000
    occupations:
  0.000  0.000  0.000  0.000  0.000
  0.000  0.000  0.000  0.000  0.000
  0.000  0.000  0.000  0.000  0.000
  0.000  0.000  0.000  0.000  0.000
  0.000  0.000  0.000  0.000  0.000
atomic mag. moment =     5.000000
atom    8   Tr[ns(na)] (up, down, total) =   0.00000  5.00000  5.00000
   spin  1
    eigenvalues: 
  0.000  0.000  0.000  0.000  0.000
    eigenvectors:
  1.000  0.000  0.000  0.000  0.000
  0.000  1.000  0.000  0.000  0.000
  0.000  0.000  1.000  0.000  0.000
  0.000  0.000  0.000  1.000  0.000
  0.000  0.000  0.000  0.000  1.000
    occupations:
  0.000  0.000  0.000  0.000  0.000
  0.000  0.000  0.000  0.000  0.000
  0.000  0.000  0.000  0.000  0.000
  0.000  0.000  0.000  0.000  0.000
  0.000  0.000  0.000  0.000  0.000
   spin  2
    eigenvalues: 
  1.000  1.000  1.000  1.000  1.000
    eigenvectors:
  1.000  0.000  0.000  0.000  0.000
  0.000  1.000  0.000  0.000  0.000
  0.000  0.000  1.000  0.000  0.000
  0.000  0.000  0.000  1.000  0.000
  0.000  0.000  0.000  0.000  1.000
    occupations:
  1.000  0.000  0.000  0.000  0.000
  0.000  1.000  0.000  0.000  0.000
  0.000  0.000  1.000  0.000  0.000
  0.000  0.000  0.000  1.000  0.000
  0.000  0.000  0.000  0.000  1.000
atomic mag. moment =    -5.000000
N of occupied +U levels =   20.000000
 --- exit write_ns ---
 Atomic wfc used for LDA+U Projector are NOT orthogonalized
     Starting wfcs are  140 randomized atomic wfcs

     total cpu time spent up to now is       27.1 secs

     Self-consistent Calculation

     iteration #  1     ecut=    40.00 Ry     beta= 0.40
     CG style diagonalization
     ethr =  1.00E-02,  avg # of iterations =  2.3
 --- enter write_ns ---
 LDA+U parameters:
U( 3)     =  1.13018400
alpha( 3) =  0.00000000
U( 4)     =  1.13018400
alpha( 4) =  0.00000000
atom    5   Tr[ns(na)] (up, down, total) =   0.59001  3.91719  4.50719
   spin  1
    eigenvalues: 
  0.065  0.070  0.075  0.185  0.195
    eigenvectors:
  0.009  0.220  0.000  0.001  0.770
  0.018  0.767  0.008  0.006  0.202
  0.328  0.013  0.579  0.060  0.020
  0.437  0.001  0.410  0.145  0.008
  0.209  0.000  0.003  0.788  0.000
    occupations:
  0.166  0.050 -0.015  0.009 -0.004
  0.050  0.096 -0.006  0.002 -0.008
 -0.015 -0.006  0.080 -0.008 -0.026
  0.009  0.002 -0.008  0.088  0.040
 -0.004 -0.008 -0.026  0.040  0.160
   spin  2
    eigenvalues: 
  0.472  0.477  0.982  0.991  0.996
    eigenvectors:
  0.028  0.790  0.176  0.001  0.005
  0.001  0.169  0.648  0.013  0.169
  0.081  0.002  0.136  0.400  0.382
  0.173  0.001  0.020  0.563  0.244
  0.717  0.038  0.021  0.024  0.200
    occupations:
  0.569 -0.188  0.043 -0.025  0.015
 -0.188  0.898  0.018 -0.005  0.028
  0.043  0.018  0.949  0.060  0.121
 -0.025 -0.005  0.060  0.902 -0.186
  0.015  0.028  0.121 -0.186  0.600
atomic mag. moment =    -3.327182
atom    6   Tr[ns(na)] (up, down, total) =   3.91710  0.58994  4.50704
   spin  1
    eigenvalues: 
  0.472  0.477  0.982  0.991  0.996
    eigenvectors:
  0.029  0.789  0.176  0.001  0.005
  0.001  0.169  0.649  0.013  0.167
  0.081  0.002  0.134  0.404  0.380
  0.173  0.001  0.020  0.559  0.247
  0.716  0.040  0.021  0.023  0.201
    occupations:
  0.569  0.188  0.043 -0.025 -0.015
  0.188  0.898 -0.018  0.005  0.028
  0.043 -0.018  0.949  0.060 -0.121
 -0.025  0.005  0.060  0.902  0.186
 -0.015  0.028 -0.121  0.186  0.600
   spin  2
    eigenvalues: 
  0.065  0.070  0.075  0.185  0.195
    eigenvectors:
  0.008  0.220  0.000  0.001  0.771
  0.019  0.767  0.006  0.006  0.202
  0.335  0.012  0.574  0.060  0.020
  0.429  0.001  0.416  0.146  0.008
  0.209  0.000  0.004  0.787  0.000
    occupations:
  0.166 -0.050 -0.015  0.009  0.004
 -0.050  0.096  0.006 -0.002 -0.008
 -0.015  0.006  0.080 -0.008  0.026
  0.009 -0.002 -0.008  0.088 -0.040
  0.004 -0.008  0.026 -0.040  0.160
atomic mag. moment =     3.327165
atom    7   Tr[ns(na)] (up, down, total) =   3.91710  0.58994  4.50704
   spin  1
    eigenvalues: 
  0.472  0.477  0.982  0.991  0.996
    eigenvectors:
  0.029  0.789  0.176  0.001  0.005
  0.001  0.169  0.649  0.013  0.167
  0.081  0.002  0.134  0.404  0.380
  0.173  0.001  0.020  0.559  0.247
  0.716  0.040  0.021  0.023  0.201
    occupations:
  0.569 -0.188 -0.043 -0.025 -0.015
 -0.188  0.898 -0.018 -0.005 -0.028
 -0.043 -0.018  0.949 -0.060  0.121
 -0.025 -0.005 -0.060  0.902  0.186
 -0.015 -0.028  0.121  0.186  0.600
   spin  2
    eigenvalues: 
  0.065  0.070  0.075  0.185  0.195
    eigenvectors:
  0.008  0.220  0.000  0.001  0.771
  0.019  0.767  0.006  0.006  0.202
  0.335  0.012  0.574  0.060  0.020
  0.429  0.001  0.416  0.146  0.008
  0.209  0.000  0.004  0.787  0.000
    occupations:
  0.166  0.050  0.015  0.009  0.004
  0.050  0.096  0.006  0.002  0.008
  0.015  0.006  0.080  0.008 -0.026
  0.009  0.002  0.008  0.088 -0.040
  0.004  0.008 -0.026 -0.040  0.160
atomic mag. moment =     3.327165
atom    8   Tr[ns(na)] (up, down, total) =   0.59001  3.91719  4.50719
   spin  1
    eigenvalues: 
  0.065  0.070  0.075  0.185  0.195
    eigenvectors:
  0.009  0.220  0.000  0.001  0.770
  0.018  0.767  0.008  0.006  0.202
  0.328  0.013  0.579  0.060  0.020
  0.437  0.001  0.410  0.145  0.008
  0.209  0.000  0.003  0.788  0.000
    occupations:
  0.166 -0.050  0.015  0.009 -0.004
 -0.050  0.096 -0.006 -0.002  0.008
  0.015 -0.006  0.080  0.008  0.026
  0.009 -0.002  0.008  0.088  0.040
 -0.004  0.008  0.026  0.040  0.160
   spin  2
    eigenvalues: 
  0.472  0.477  0.982  0.991  0.996
    eigenvectors:
  0.028  0.790  0.176  0.001  0.005
  0.001  0.169  0.648  0.013  0.169
  0.081  0.002  0.136  0.400  0.382
  0.173  0.001  0.020  0.563  0.244
  0.717  0.038  0.021  0.024  0.200
    occupations:
  0.569  0.188 -0.043 -0.025  0.015
  0.188  0.898  0.018  0.005 -0.028
 -0.043  0.018  0.949 -0.060 -0.121
 -0.025  0.005 -0.060  0.902 -0.186
  0.015 -0.028 -0.121 -0.186  0.600
atomic mag. moment =    -3.327182
N of occupied +U levels =   18.028462
 --- exit write_ns ---

     negative rho (up, down):  2.589E-03 2.588E-03
 --- in v_hubbard ---
Hubbard energy    0.1715
 -------

     total cpu time spent up to now is      168.4 secs

     total energy              =   -1459.83698254 Ry
     Harris-Foulkes estimate   =   -1458.76005153 Ry
     estimated scf accuracy    <       9.18858041 Ry

     total magnetization       =    -0.00 Bohr mag/cell
     absolute magnetization    =    14.73 Bohr mag/cell

     iteration #  2     ecut=    40.00 Ry     beta= 0.40
     CG style diagonalization
     ethr =  5.34E-03,  avg # of iterations =  3.3
 --- enter write_ns ---
 LDA+U parameters:
U( 3)     =  1.13018400
alpha( 3) =  0.00000000
U( 4)     =  1.13018400
alpha( 4) =  0.00000000
atom    5   Tr[ns(na)] (up, down, total) =   0.87245  4.22936  5.10181
   spin  1
    eigenvalues: 
  0.100  0.114  0.126  0.257  0.275
    eigenvectors:
  0.017  0.193  0.000  0.000  0.790
  0.002  0.797  0.010  0.002  0.189
  0.357  0.004  0.568  0.055  0.015
  0.445  0.003  0.419  0.129  0.004
  0.178  0.003  0.003  0.814  0.002
    occupations:
  0.241  0.062 -0.019  0.011 -0.006
  0.062  0.145 -0.007  0.003 -0.009
 -0.019 -0.007  0.126 -0.002 -0.033
  0.011  0.003 -0.002  0.132  0.049
 -0.006 -0.009 -0.033  0.049  0.228
   spin  2
    eigenvalues: 
  0.621  0.632  0.987  0.993  0.996
    eigenvectors:
  0.085  0.740  0.161  0.009  0.006
  0.009  0.156  0.616  0.044  0.175
  0.081  0.000  0.208  0.292  0.420
  0.161  0.006  0.001  0.619  0.213
  0.665  0.098  0.014  0.036  0.187
    occupations:
  0.694 -0.131  0.030 -0.019  0.008
 -0.131  0.930  0.013 -0.003  0.018
  0.030  0.013  0.963  0.041  0.087
 -0.019 -0.003  0.041  0.931 -0.131
  0.008  0.018  0.087 -0.131  0.711
atomic mag. moment =    -3.356912
atom    6   Tr[ns(na)] (up, down, total) =   4.22950  0.87194  5.10144
   spin  1
    eigenvalues: 
  0.621  0.632  0.987  0.993  0.996
    eigenvectors:
  0.083  0.741  0.161  0.008  0.006
  0.008  0.156  0.616  0.044  0.175
  0.081  0.000  0.208  0.292  0.420
  0.161  0.006  0.001  0.619  0.213
  0.667  0.096  0.014  0.036  0.187
    occupations:
  0.694  0.131  0.030 -0.019 -0.008
  0.131  0.930 -0.013  0.003  0.018
  0.030 -0.013  0.963  0.041 -0.087
 -0.019  0.003  0.041  0.931  0.131
 -0.008  0.018 -0.087  0.131  0.711
   spin  2
    eigenvalues: 
  0.100  0.114  0.126  0.257  0.275
    eigenvectors:
  0.017  0.193  0.000  0.000  0.790
  0.002  0.797  0.010  0.002  0.189
  0.356  0.004  0.569  0.055  0.015
  0.447  0.003  0.417  0.129  0.004
  0.178  0.003  0.003  0.814  0.002
    occupations:
  0.241 -0.062 -0.019  0.011  0.006
 -0.062  0.145  0.007 -0.003 -0.009
 -0.019  0.007  0.126 -0.002  0.033
  0.011 -0.003 -0.002  0.132 -0.049
  0.006 -0.009  0.033 -0.049  0.228
atomic mag. moment =     3.357557
atom    7   Tr[ns(na)] (up, down, total) =   4.22950  0.87194  5.10144
   spin  1
    eigenvalues: 
  0.621  0.632  0.987  0.993  0.996
    eigenvectors:
  0.083  0.741  0.161  0.008  0.006
  0.008  0.156  0.616  0.044  0.175
  0.081  0.000  0.208  0.292  0.420
  0.161  0.006  0.001  0.619  0.213
  0.667  0.096  0.014  0.036  0.187
    occupations:
  0.694 -0.131 -0.030 -0.019 -0.008
 -0.131  0.930 -0.013 -0.003 -0.018
 -0.030 -0.013  0.963 -0.041  0.087
 -0.019 -0.003 -0.041  0.931  0.131
 -0.008 -0.018  0.087  0.131  0.711
   spin  2
    eigenvalues: 
  0.100  0.114  0.126  0.257  0.275
    eigenvectors:
  0.017  0.193  0.000  0.000  0.790
  0.002  0.797  0.010  0.002  0.189
  0.356  0.004  0.569  0.055  0.015
  0.447  0.003  0.417  0.129  0.004
  0.178  0.003  0.003  0.814  0.002
    occupations:
  0.241  0.062  0.019  0.011  0.006
  0.062  0.145  0.007  0.003  0.009
  0.019  0.007  0.126  0.002 -0.033
  0.011  0.003  0.002  0.132 -0.049
  0.006  0.009 -0.033 -0.049  0.228
atomic mag. moment =     3.357557
atom    8   Tr[ns(na)] (up, down, total) =   0.87245  4.22936  5.10181
   spin  1
    eigenvalues: 
  0.100  0.114  0.126  0.257  0.275
    eigenvectors:
  0.017  0.193  0.000  0.000  0.790
  0.002  0.797  0.010  0.002  0.189
  0.357  0.004  0.568  0.055  0.015
  0.445  0.003  0.419  0.129  0.004
  0.178  0.003  0.003  0.814  0.002
    occupations:
  0.241 -0.062  0.019  0.011 -0.006
 -0.062  0.145 -0.007 -0.003  0.009
  0.019 -0.007  0.126  0.002  0.033
  0.011 -0.003  0.002  0.132  0.049
 -0.006  0.009  0.033  0.049  0.228
   spin  2
    eigenvalues: 
  0.621  0.632  0.987  0.993  0.996
    eigenvectors:
  0.085  0.740  0.161  0.009  0.006
  0.009  0.156  0.616  0.044  0.175
  0.081  0.000  0.208  0.292  0.420
  0.161  0.006  0.001  0.619  0.213
  0.665  0.098  0.014  0.036  0.187
    occupations:
  0.694  0.131 -0.030 -0.019  0.008
  0.131  0.930  0.013  0.003 -0.018
 -0.030  0.013  0.963 -0.041 -0.087
 -0.019  0.003 -0.041  0.931 -0.131
  0.008 -0.018 -0.087 -0.131  0.711
atomic mag. moment =    -3.356912
N of occupied +U levels =   20.406509
 --- exit write_ns ---

     negative rho (up, down):  4.016E-03 4.017E-03
 --- in v_hubbard ---
Hubbard energy    0.1834
 -------

     total cpu time spent up to now is      329.7 secs

     total energy              =   -1461.62004328 Ry
     Harris-Foulkes estimate   =   -1461.08693072 Ry
     estimated scf accuracy    <       2.57324388 Ry

     total magnetization       =    -0.00 Bohr mag/cell
     absolute magnetization    =    15.41 Bohr mag/cell

     iteration #  3     ecut=    40.00 Ry     beta= 0.40
     CG style diagonalization
     ethr =  1.50E-03,  avg # of iterations =  3.4
 --- enter write_ns ---
 LDA+U parameters:
U( 3)     =  1.13018400
alpha( 3) =  0.00000000
U( 4)     =  1.13018400
alpha( 4) =  0.00000000
atom    5   Tr[ns(na)] (up, down, total) =   0.85307  3.85317  4.70624
   spin  1
    eigenvalues: 
  0.099  0.110  0.120  0.256  0.268
    eigenvectors:
  0.020  0.192  0.001  0.000  0.787
  0.000  0.804  0.002  0.002  0.192
  0.371  0.000  0.555  0.058  0.016
  0.420  0.001  0.438  0.137  0.005
  0.188  0.004  0.005  0.802  0.001
    occupations:
  0.234  0.061 -0.018  0.011 -0.006
  0.061  0.140 -0.007  0.002 -0.009
 -0.018 -0.007  0.123 -0.005 -0.034
  0.011  0.002 -0.005  0.131  0.051
 -0.006 -0.009 -0.034  0.051  0.226
   spin  2
    eigenvalues: 
  0.451  0.464  0.972  0.979  0.987
    eigenvectors:
  0.010  0.797  0.136  0.057  0.000
  0.000  0.179  0.498  0.251  0.072
  0.079  0.005  0.263  0.171  0.482
  0.174  0.000  0.103  0.489  0.234
  0.738  0.018  0.001  0.032  0.212
    occupations:
  0.562 -0.193  0.047 -0.028  0.016
 -0.193  0.884  0.020 -0.002  0.029
  0.047  0.020  0.937  0.058  0.125
 -0.028 -0.002  0.058  0.888 -0.190
  0.016  0.029  0.125 -0.190  0.582
atomic mag. moment =    -3.000099
atom    6   Tr[ns(na)] (up, down, total) =   3.85323  0.85279  4.70602
   spin  1
    eigenvalues: 
  0.451  0.464  0.972  0.979  0.987
    eigenvectors:
  0.010  0.797  0.135  0.057  0.000
  0.000  0.179  0.496  0.253  0.071
  0.079  0.005  0.263  0.171  0.482
  0.174  0.000  0.104  0.487  0.235
  0.737  0.018  0.001  0.031  0.212
    occupations:
  0.562  0.193  0.047 -0.028 -0.016
  0.193  0.884 -0.020  0.002  0.029
  0.047 -0.020  0.937  0.058 -0.125
 -0.028  0.002  0.058  0.888  0.190
 -0.016  0.029 -0.125  0.190  0.582
   spin  2
    eigenvalues: 
  0.099  0.110  0.120  0.256  0.268
    eigenvectors:
  0.020  0.192  0.001  0.000  0.787
  0.001  0.804  0.002  0.002  0.191
  0.372  0.000  0.554  0.058  0.016
  0.419  0.001  0.439  0.137  0.005
  0.188  0.003  0.005  0.802  0.001
    occupations:
  0.234 -0.061 -0.018  0.011  0.006
 -0.061  0.140  0.007 -0.003 -0.009
 -0.018  0.007  0.123 -0.005  0.034
  0.011 -0.003 -0.005  0.131 -0.051
  0.006 -0.009  0.034 -0.051  0.226
atomic mag. moment =     3.000444
atom    7   Tr[ns(na)] (up, down, total) =   3.85323  0.85279  4.70602
   spin  1
    eigenvalues: 
  0.451  0.464  0.972  0.979  0.987
    eigenvectors:
  0.010  0.797  0.135  0.057  0.000
  0.000  0.179  0.496  0.253  0.071
  0.079  0.005  0.263  0.171  0.482
  0.174  0.000  0.104  0.487  0.235
  0.737  0.018  0.001  0.031  0.212
    occupations:
  0.562 -0.193 -0.047 -0.028 -0.016
 -0.193  0.884 -0.020 -0.002 -0.029
 -0.047 -0.020  0.937 -0.058  0.125
 -0.028 -0.002 -0.058  0.888  0.190
 -0.016 -0.029  0.125  0.190  0.582
   spin  2
    eigenvalues: 
  0.099  0.110  0.120  0.256  0.268
    eigenvectors:
  0.020  0.192  0.001  0.000  0.787
  0.001  0.804  0.002  0.002  0.191
  0.372  0.000  0.554  0.058  0.016
  0.419  0.001  0.439  0.137  0.005
  0.188  0.003  0.005  0.802  0.001
    occupations:
  0.234  0.061  0.018  0.011  0.006
  0.061  0.140  0.007  0.003  0.009
  0.018  0.007  0.123  0.005 -0.034
  0.011  0.003  0.005  0.131 -0.051
  0.006  0.009 -0.034 -0.051  0.226
atomic mag. moment =     3.000444
atom    8   Tr[ns(na)] (up, down, total) =   0.85307  3.85317  4.70624
   spin  1
    eigenvalues: 
  0.099  0.110  0.120  0.256  0.268
    eigenvectors:
  0.020  0.192  0.001  0.000  0.787
  0.000  0.804  0.002  0.002  0.192
  0.371  0.000  0.555  0.058  0.016
  0.420  0.001  0.438  0.137  0.005
  0.188  0.004  0.005  0.802  0.001
    occupations:
  0.234 -0.061  0.018  0.011 -0.006
 -0.061  0.140 -0.007 -0.002  0.009
  0.018 -0.007  0.123  0.005  0.034
  0.011 -0.002  0.005  0.131  0.051
 -0.006  0.009  0.034  0.051  0.226
   spin  2
    eigenvalues: 
  0.451  0.464  0.972  0.979  0.987
    eigenvectors:
  0.010  0.797  0.136  0.057  0.000
  0.000  0.179  0.498  0.251  0.072
  0.079  0.005  0.263  0.171  0.482
  0.174  0.000  0.103  0.489  0.234
  0.738  0.018  0.001  0.032  0.212
    occupations:
  0.562  0.193 -0.047 -0.028  0.016
  0.193  0.884  0.020  0.002 -0.029
 -0.047  0.020  0.937 -0.058 -0.125
 -0.028  0.002 -0.058  0.888 -0.190
  0.016 -0.029 -0.125 -0.190  0.582
atomic mag. moment =    -3.000099
N of occupied +U levels =   18.824524
 --- exit write_ns ---

     negative rho (up, down):  6.873E-03 6.875E-03
 --- in v_hubbard ---
Hubbard energy    0.2000
 -------

     total cpu time spent up to now is      492.3 secs

     total energy              =   -1462.61258653 Ry
     Harris-Foulkes estimate   =   -1462.09501780 Ry
     estimated scf accuracy    <       1.31462466 Ry

     total magnetization       =    -0.00 Bohr mag/cell
     absolute magnetization    =    13.32 Bohr mag/cell

     iteration #  4     ecut=    40.00 Ry     beta= 0.40
     CG style diagonalization
     ethr =  7.64E-04,  avg # of iterations =  3.6
 --- enter write_ns ---
 LDA+U parameters:
U( 3)     =  1.13018400
alpha( 3) =  0.00000000
U( 4)     =  1.13018400
alpha( 4) =  0.00000000
atom    5   Tr[ns(na)] (up, down, total) =   1.00799  3.91268  4.92067
   spin  1
    eigenvalues: 
  0.117  0.131  0.147  0.302  0.311
    eigenvectors:
  0.027  0.171  0.001  0.001  0.799
  0.002  0.816  0.001  0.003  0.179
  0.377  0.002  0.552  0.053  0.016
  0.420  0.004  0.441  0.129  0.006
  0.174  0.006  0.005  0.814  0.000
    occupations:
  0.275  0.068 -0.020  0.012 -0.007
  0.068  0.164 -0.007  0.002 -0.009
 -0.020 -0.007  0.147 -0.002 -0.040
  0.012  0.002 -0.002  0.155  0.058
 -0.007 -0.009 -0.040  0.058  0.268
   spin  2
    eigenvalues: 
  0.474  0.490  0.977  0.982  0.989
    eigenvectors:
  0.008  0.803  0.140  0.049  0.000
  0.000  0.175  0.521  0.219  0.085
  0.076  0.006  0.258  0.174  0.486
  0.168  0.000  0.081  0.523  0.228
  0.748  0.016  0.000  0.035  0.201
    occupations:
  0.582 -0.183  0.045 -0.026  0.015
 -0.183  0.894  0.019 -0.003  0.027
  0.045  0.019  0.943  0.055  0.118
 -0.026 -0.003  0.055  0.898 -0.180
  0.015  0.027  0.118 -0.180  0.596
atomic mag. moment =    -2.904685
atom    6   Tr[ns(na)] (up, down, total) =   3.91290  1.00839  4.92129
   spin  1
    eigenvalues: 
  0.475  0.490  0.977  0.982  0.989
    eigenvectors:
  0.008  0.803  0.140  0.049  0.000
  0.000  0.175  0.522  0.217  0.086
  0.076  0.006  0.257  0.171  0.490
  0.168  0.000  0.082  0.527  0.224
  0.748  0.016  0.000  0.036  0.200
    occupations:
  0.582  0.183  0.045 -0.026 -0.015
  0.183  0.894 -0.019  0.003  0.027
  0.045 -0.019  0.943  0.055 -0.118
 -0.026  0.003  0.055  0.898  0.180
 -0.015  0.027 -0.118  0.180  0.596
   spin  2
    eigenvalues: 
  0.117  0.131  0.147  0.302  0.311
    eigenvectors:
  0.027  0.171  0.001  0.001  0.800
  0.002  0.816  0.001  0.003  0.179
  0.376  0.003  0.553  0.053  0.015
  0.421  0.004  0.440  0.130  0.005
  0.175  0.006  0.005  0.814  0.000
    occupations:
  0.275 -0.068 -0.020  0.012  0.007
 -0.068  0.164  0.007 -0.002 -0.009
 -0.020  0.007  0.147 -0.002  0.040
  0.012 -0.002 -0.002  0.155 -0.058
  0.007 -0.009  0.040 -0.058  0.268
atomic mag. moment =     2.904515
atom    7   Tr[ns(na)] (up, down, total) =   3.91290  1.00839  4.92129
   spin  1
    eigenvalues: 
  0.475  0.490  0.977  0.982  0.989
    eigenvectors:
  0.008  0.803  0.140  0.049  0.000
  0.000  0.175  0.522  0.217  0.086
  0.076  0.006  0.257  0.171  0.490
  0.168  0.000  0.082  0.527  0.224
  0.748  0.016  0.000  0.036  0.200
    occupations:
  0.582 -0.183 -0.045 -0.026 -0.015
 -0.183  0.894 -0.019 -0.003 -0.027
 -0.045 -0.019  0.943 -0.055  0.118
 -0.026 -0.003 -0.055  0.898  0.180
 -0.015 -0.027  0.118  0.180  0.596
   spin  2
    eigenvalues: 
  0.117  0.131  0.147  0.302  0.311
    eigenvectors:
  0.027  0.171  0.001  0.001  0.800
  0.002  0.816  0.001  0.003  0.179
  0.376  0.003  0.553  0.053  0.015
  0.421  0.004  0.440  0.130  0.005
  0.175  0.006  0.005  0.814  0.000
    occupations:
  0.275  0.068  0.020  0.012  0.007
  0.068  0.164  0.007  0.002  0.009
  0.020  0.007  0.147  0.002 -0.040
  0.012  0.002  0.002  0.155 -0.058
  0.007  0.009 -0.040 -0.058  0.268
atomic mag. moment =     2.904515
atom    8   Tr[ns(na)] (up, down, total) =   1.00799  3.91268  4.92067
   spin  1
    eigenvalues: 
  0.117  0.131  0.147  0.302  0.311
    eigenvectors:
  0.027  0.171  0.001  0.001  0.799
  0.002  0.816  0.001  0.003  0.179
  0.377  0.002  0.552  0.053  0.016
  0.420  0.004  0.441  0.129  0.006
  0.174  0.006  0.005  0.814  0.000
    occupations:
  0.275 -0.068  0.020  0.012 -0.007
 -0.068  0.164 -0.007 -0.002  0.009
  0.020 -0.007  0.147  0.002  0.040
  0.012 -0.002  0.002  0.155  0.058
 -0.007  0.009  0.040  0.058  0.268
   spin  2
    eigenvalues: 
  0.474  0.490  0.977  0.982  0.989
    eigenvectors:
  0.008  0.803  0.140  0.049  0.000
  0.000  0.175  0.521  0.219  0.085
  0.076  0.006  0.258  0.174  0.486
  0.168  0.000  0.081  0.523  0.228
  0.748  0.016  0.000  0.035  0.201
    occupations:
  0.582  0.183 -0.045 -0.026  0.015
  0.183  0.894  0.019  0.003 -0.027
 -0.045  0.019  0.943 -0.055 -0.118
 -0.026  0.003 -0.055  0.898 -0.180
  0.015 -0.027 -0.118 -0.180  0.596
atomic mag. moment =    -2.904685
N of occupied +U levels =   19.683922
 --- exit write_ns ---

     negative rho (up, down):  7.579E-03 7.578E-03
 --- in v_hubbard ---
Hubbard energy    0.2128
 -------

     total cpu time spent up to now is      671.6 secs

     total energy              =   -1462.78353160 Ry
     Harris-Foulkes estimate   =   -1462.72274170 Ry
     estimated scf accuracy    <       0.09767309 Ry

     total magnetization       =     0.00 Bohr mag/cell
     absolute magnetization    =    12.97 Bohr mag/cell

     iteration #  5     ecut=    40.00 Ry     beta= 0.40
     CG style diagonalization
     c_bands:  1 eigenvalues not converged
     c_bands:  2 eigenvalues not converged
     c_bands:  4 eigenvalues not converged
     c_bands:  5 eigenvalues not converged
     c_bands:  4 eigenvalues not converged
     c_bands:  2 eigenvalues not converged
     c_bands:  3 eigenvalues not converged
     c_bands:  5 eigenvalues not converged
     c_bands:  4 eigenvalues not converged
     c_bands:  4 eigenvalues not converged
     c_bands:  3 eigenvalues not converged
     c_bands:  4 eigenvalues not converged
     c_bands:  5 eigenvalues not converged
     c_bands:  2 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  3 eigenvalues not converged
     c_bands:  4 eigenvalues not converged
     c_bands:  4 eigenvalues not converged
     c_bands:  5 eigenvalues not converged
     c_bands:  2 eigenvalues not converged
     c_bands:  4 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  2 eigenvalues not converged
     c_bands:  4 eigenvalues not converged
     c_bands:  5 eigenvalues not converged
     c_bands:  2 eigenvalues not converged
     c_bands:  5 eigenvalues not converged
     c_bands:  3 eigenvalues not converged
     c_bands:  2 eigenvalues not converged
     c_bands:  4 eigenvalues not converged
     c_bands:  4 eigenvalues not converged
     c_bands:  4 eigenvalues not converged
     c_bands:  3 eigenvalues not converged
     c_bands:  4 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  4 eigenvalues not converged
     c_bands:  4 eigenvalues not converged
     c_bands:  4 eigenvalues not converged
     c_bands:  5 eigenvalues not converged
     c_bands:  5 eigenvalues not converged
     c_bands:  4 eigenvalues not converged
     c_bands:  2 eigenvalues not converged
     ethr =  5.68E-05,  avg # of iterations =  7.3
 --- enter write_ns ---
 LDA+U parameters:
U( 3)     =  1.13018400
alpha( 3) =  0.00000000
U( 4)     =  1.13018400
alpha( 4) =  0.00000000
atom    5   Tr[ns(na)] (up, down, total) =   1.20107  3.84275  5.04382
   spin  1
    eigenvalues: 
  0.151  0.167  0.185  0.347  0.351
    eigenvectors:
  0.026  0.152  0.004  0.006  0.812
  0.003  0.826  0.005  0.000  0.166
  0.421  0.018  0.499  0.055  0.008
  0.394  0.000  0.485  0.120  0.001
  0.156  0.004  0.008  0.819  0.013
    occupations:
  0.317  0.067 -0.019  0.013 -0.008
  0.067  0.198 -0.007  0.002 -0.007
 -0.019 -0.007  0.181  0.000 -0.041
  0.013  0.002  0.000  0.191  0.058
 -0.008 -0.007 -0.041  0.058  0.314
   spin  2
    eigenvalues: 
  0.450  0.469  0.967  0.974  0.982
    eigenvectors:
  0.004  0.806  0.090  0.100  0.001
  0.000  0.176  0.349  0.423  0.051
  0.073  0.008  0.285  0.077  0.557
  0.165  0.001  0.265  0.372  0.197
  0.757  0.010  0.011  0.028  0.194
    occupations:
  0.564 -0.189  0.047 -0.028  0.017
 -0.189  0.883  0.020 -0.002  0.027
  0.047  0.020  0.934  0.054  0.122
 -0.028 -0.002  0.054  0.887 -0.185
  0.017  0.027  0.122 -0.185  0.574
atomic mag. moment =    -2.641687
atom    6   Tr[ns(na)] (up, down, total) =   3.84237  1.20060  5.04297
   spin  1
    eigenvalues: 
  0.450  0.468  0.967  0.974  0.982
    eigenvectors:
  0.004  0.806  0.089  0.100  0.001
  0.000  0.176  0.347  0.426  0.050
  0.074  0.008  0.286  0.076  0.557
  0.165  0.001  0.267  0.370  0.197
  0.757  0.009  0.011  0.027  0.195
    occupations:
  0.564  0.189  0.047 -0.028 -0.017
  0.189  0.883 -0.020  0.002  0.027
  0.047 -0.020  0.934  0.054 -0.123
 -0.028  0.002  0.054  0.887  0.185
 -0.017  0.027 -0.123  0.185  0.574
   spin  2
    eigenvalues: 
  0.151  0.167  0.185  0.346  0.351
    eigenvectors:
  0.027  0.150  0.004  0.001  0.818
  0.004  0.827  0.005  0.000  0.165
  0.421  0.018  0.499  0.053  0.010
  0.394  0.000  0.485  0.118  0.003
  0.155  0.004  0.008  0.828  0.005
    occupations:
  0.317 -0.067 -0.019  0.013  0.007
 -0.067  0.197  0.007 -0.002 -0.007
 -0.019  0.007  0.181  0.000  0.041
  0.013 -0.002  0.000  0.191 -0.058
  0.007 -0.007  0.041 -0.058  0.314
atomic mag. moment =     2.641773
atom    7   Tr[ns(na)] (up, down, total) =   3.84237  1.20060  5.04297
   spin  1
    eigenvalues: 
  0.450  0.468  0.967  0.974  0.982
    eigenvectors:
  0.004  0.806  0.089  0.100  0.001
  0.000  0.176  0.347  0.426  0.050
  0.074  0.008  0.286  0.076  0.557
  0.165  0.001  0.267  0.370  0.197
  0.757  0.009  0.011  0.027  0.195
    occupations:
  0.564 -0.189 -0.047 -0.028 -0.017
 -0.189  0.883 -0.020 -0.002 -0.027
 -0.047 -0.020  0.934 -0.054  0.123
 -0.028 -0.002 -0.054  0.887  0.185
 -0.017 -0.027  0.123  0.185  0.574
   spin  2
    eigenvalues: 
  0.151  0.167  0.185  0.346  0.351
    eigenvectors:
  0.027  0.150  0.004  0.001  0.818
  0.004  0.827  0.005  0.000  0.165
  0.421  0.018  0.499  0.053  0.010
  0.394  0.000  0.485  0.118  0.003
  0.155  0.004  0.008  0.828  0.005
    occupations:
  0.317  0.067  0.019  0.013  0.007
  0.067  0.197  0.007  0.002  0.007
  0.019  0.007  0.181 -0.000 -0.041
  0.013  0.002 -0.000  0.191 -0.058
  0.007  0.007 -0.041 -0.058  0.314
atomic mag. moment =     2.641773
atom    8   Tr[ns(na)] (up, down, total) =   1.20107  3.84275  5.04382
   spin  1
    eigenvalues: 
  0.151  0.167  0.185  0.347  0.351
    eigenvectors:
  0.026  0.152  0.004  0.006  0.812
  0.003  0.826  0.005  0.000  0.166
  0.421  0.018  0.499  0.055  0.008
  0.394  0.000  0.485  0.120  0.001
  0.156  0.004  0.008  0.819  0.013
    occupations:
  0.317 -0.067  0.019  0.013 -0.008
 -0.067  0.198 -0.007 -0.002  0.007
  0.019 -0.007  0.181 -0.000  0.041
  0.013 -0.002 -0.000  0.191  0.058
 -0.008  0.007  0.041  0.058  0.314
   spin  2
    eigenvalues: 
  0.450  0.469  0.967  0.974  0.982
    eigenvectors:
  0.004  0.806  0.090  0.100  0.001
  0.000  0.176  0.349  0.423  0.051
  0.073  0.008  0.285  0.077  0.557
  0.165  0.001  0.265  0.372  0.197
  0.757  0.010  0.011  0.028  0.194
    occupations:
  0.564  0.189 -0.047 -0.028  0.017
  0.189  0.883  0.020  0.002 -0.027
 -0.047  0.020  0.934 -0.054 -0.122
 -0.028  0.002 -0.054  0.887 -0.185
  0.017 -0.027 -0.122 -0.185  0.574
atomic mag. moment =    -2.641687
N of occupied +U levels =   20.173567
 --- exit write_ns ---

     negative rho (up, down):  6.908E-03 6.910E-03
 --- in v_hubbard ---
Hubbard energy    0.2240
 -------

     total cpu time spent up to now is     1051.2 secs

     total energy              =   -1462.84390499 Ry
     Harris-Foulkes estimate   =   -1462.84354732 Ry
     estimated scf accuracy    <       0.02195167 Ry

     total magnetization       =    -0.00 Bohr mag/cell
     absolute magnetization    =    11.82 Bohr mag/cell

     iteration #  6     ecut=    40.00 Ry     beta= 0.40
     CG style diagonalization
     c_bands:  1 eigenvalues not converged
     c_bands:  2 eigenvalues not converged
     c_bands:  2 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  2 eigenvalues not converged
     c_bands:  2 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  4 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  3 eigenvalues not converged
     c_bands:  5 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  2 eigenvalues not converged
     c_bands:  2 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  4 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  2 eigenvalues not converged
     c_bands:  2 eigenvalues not converged
     c_bands:  3 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  2 eigenvalues not converged
     c_bands:  2 eigenvalues not converged
     c_bands:  2 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  3 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  3 eigenvalues not converged
     c_bands:  3 eigenvalues not converged
     c_bands:  4 eigenvalues not converged
     c_bands:  3 eigenvalues not converged
     c_bands:  2 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     ethr =  1.28E-05,  avg # of iterations =  3.9
 --- enter write_ns ---
 LDA+U parameters:
U( 3)     =  1.13018400
alpha( 3) =  0.00000000
U( 4)     =  1.13018400
alpha( 4) =  0.00000000
atom    5   Tr[ns(na)] (up, down, total) =   1.20599  3.80677  5.01277
   spin  1
    eigenvalues: 
  0.151  0.167  0.185  0.350  0.353
    eigenvectors:
  0.027  0.152  0.004  0.012  0.804
  0.003  0.823  0.007  0.000  0.167
  0.426  0.021  0.491  0.056  0.006
  0.388  0.000  0.489  0.122  0.001
  0.156  0.004  0.009  0.809  0.022
    occupations:
  0.319  0.069 -0.019  0.014 -0.008
  0.069  0.198 -0.007  0.001 -0.008
 -0.019 -0.007  0.180 -0.000 -0.042
  0.014  0.001 -0.000  0.192  0.060
 -0.008 -0.008 -0.042  0.060  0.317
   spin  2
    eigenvalues: 
  0.436  0.455  0.964  0.972  0.980
    eigenvectors:
  0.002  0.806  0.079  0.111  0.002
  0.000  0.177  0.308  0.474  0.040
  0.073  0.008  0.285  0.067  0.567
  0.164  0.001  0.313  0.325  0.197
  0.761  0.007  0.015  0.023  0.194
    occupations:
  0.554 -0.193  0.049 -0.029  0.017
 -0.193  0.878  0.021 -0.002  0.028
  0.049  0.021  0.931  0.055  0.125
 -0.029 -0.002  0.055  0.882 -0.189
  0.017  0.028  0.125 -0.189  0.562
atomic mag. moment =    -2.600780
atom    6   Tr[ns(na)] (up, down, total) =   3.80716  1.20637  5.01353
   spin  1
    eigenvalues: 
  0.436  0.455  0.964  0.972  0.980
    eigenvectors:
  0.002  0.806  0.078  0.112  0.002
  0.000  0.177  0.307  0.475  0.041
  0.073  0.008  0.286  0.067  0.567
  0.164  0.001  0.314  0.324  0.197
  0.760  0.007  0.015  0.023  0.194
    occupations:
  0.554  0.193  0.049 -0.029 -0.017
  0.193  0.878 -0.021  0.002  0.028
  0.049 -0.021  0.931  0.055 -0.125
 -0.029  0.002  0.055  0.882  0.189
 -0.017  0.028 -0.125  0.189  0.562
   spin  2
    eigenvalues: 
  0.151  0.167  0.185  0.350  0.353
    eigenvectors:
  0.027  0.152  0.004  0.011  0.806
  0.003  0.823  0.007  0.000  0.167
  0.426  0.021  0.491  0.056  0.007
  0.388  0.000  0.489  0.122  0.001
  0.156  0.004  0.009  0.811  0.020
    occupations:
  0.319 -0.069 -0.019  0.014  0.008
 -0.069  0.198  0.007 -0.001 -0.008
 -0.019  0.007  0.180 -0.000  0.042
  0.014 -0.001 -0.000  0.192 -0.060
  0.008 -0.008  0.042 -0.060  0.317
atomic mag. moment =     2.600788
atom    7   Tr[ns(na)] (up, down, total) =   3.80716  1.20637  5.01353
   spin  1
    eigenvalues: 
  0.436  0.455  0.964  0.972  0.980
    eigenvectors:
  0.002  0.806  0.078  0.112  0.002
  0.000  0.177  0.307  0.475  0.041
  0.073  0.008  0.286  0.067  0.567
  0.164  0.001  0.314  0.324  0.197
  0.760  0.007  0.015  0.023  0.194
    occupations:
  0.554 -0.193 -0.049 -0.029 -0.017
 -0.193  0.878 -0.021 -0.002 -0.028
 -0.049 -0.021  0.931 -0.055  0.125
 -0.029 -0.002 -0.055  0.882  0.189
 -0.017 -0.028  0.125  0.189  0.562
   spin  2
    eigenvalues: 
  0.151  0.167  0.185  0.350  0.353
    eigenvectors:
  0.027  0.152  0.004  0.011  0.806
  0.003  0.823  0.007  0.000  0.167
  0.426  0.021  0.491  0.056  0.007
  0.388  0.000  0.489  0.122  0.001
  0.156  0.004  0.009  0.811  0.020
    occupations:
  0.319  0.069  0.019  0.014  0.008
  0.069  0.198  0.007  0.001  0.008
  0.019  0.007  0.180  0.000 -0.042
  0.014  0.001  0.000  0.192 -0.060
  0.008  0.008 -0.042 -0.060  0.317
atomic mag. moment =     2.600788
atom    8   Tr[ns(na)] (up, down, total) =   1.20599  3.80677  5.01277
   spin  1
    eigenvalues: 
  0.151  0.167  0.185  0.350  0.353
    eigenvectors:
  0.027  0.152  0.004  0.012  0.804
  0.003  0.823  0.007  0.000  0.167
  0.426  0.021  0.491  0.056  0.006
  0.388  0.000  0.489  0.122  0.001
  0.156  0.004  0.009  0.809  0.022
    occupations:
  0.319 -0.069  0.019  0.014 -0.008
 -0.069  0.198 -0.007 -0.001  0.008
  0.019 -0.007  0.180  0.000  0.042
  0.014 -0.001  0.000  0.192  0.060
 -0.008  0.008  0.042  0.060  0.317
   spin  2
    eigenvalues: 
  0.436  0.455  0.964  0.972  0.980
    eigenvectors:
  0.002  0.806  0.079  0.111  0.002
  0.000  0.177  0.308  0.474  0.040
  0.073  0.008  0.285  0.067  0.567
  0.164  0.001  0.313  0.325  0.197
  0.761  0.007  0.015  0.023  0.194
    occupations:
  0.554  0.193 -0.049 -0.029  0.017
  0.193  0.878  0.021  0.002 -0.028
 -0.049  0.021  0.931 -0.055 -0.125
 -0.029  0.002 -0.055  0.882 -0.189
  0.017 -0.028 -0.125 -0.189  0.562
atomic mag. moment =    -2.600780
N of occupied +U levels =   20.052596
 --- exit write_ns ---

     negative rho (up, down):  5.571E-03 5.568E-03
 --- in v_hubbard ---
Hubbard energy    0.2390
 -------

     total cpu time spent up to now is     1246.6 secs

     total energy              =   -1462.84969892 Ry
     Harris-Foulkes estimate   =   -1462.84796403 Ry
     estimated scf accuracy    <       0.00454526 Ry

     total magnetization       =     0.00 Bohr mag/cell
     absolute magnetization    =    11.62 Bohr mag/cell

     iteration #  7     ecut=    40.00 Ry     beta= 0.40
     CG style diagonalization
     c_bands:  2 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  2 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  3 eigenvalues not converged
     c_bands:  2 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  2 eigenvalues not converged
     c_bands:  2 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  3 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  3 eigenvalues not converged
     c_bands:  2 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  3 eigenvalues not converged
     c_bands:  3 eigenvalues not converged
     c_bands:  3 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  2 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  3 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  2 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  2 eigenvalues not converged
     c_bands:  2 eigenvalues not converged
     c_bands:  2 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  4 eigenvalues not converged
     c_bands:  2 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  4 eigenvalues not converged
     c_bands:  3 eigenvalues not converged
     c_bands:  3 eigenvalues not converged
     c_bands:  2 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     ethr =  2.64E-06,  avg # of iterations =  4.5
 --- enter write_ns ---
 LDA+U parameters:
U( 3)     =  1.13018400
alpha( 3) =  0.00000000
U( 4)     =  1.13018400
alpha( 4) =  0.00000000
atom    5   Tr[ns(na)] (up, down, total) =   1.21593  3.78833  5.00426
   spin  1
    eigenvalues: 
  0.152  0.168  0.186  0.353  0.356
    eigenvectors:
  0.027  0.151  0.004  0.027  0.790
  0.003  0.823  0.008  0.002  0.164
  0.432  0.022  0.484  0.058  0.004
  0.384  0.000  0.494  0.122  0.000
  0.154  0.004  0.009  0.791  0.041
    occupations:
  0.321  0.069 -0.019  0.014 -0.008
  0.069  0.199 -0.007  0.001 -0.008
 -0.019 -0.007  0.181 -0.000 -0.043
  0.014  0.001 -0.000  0.193  0.060
 -0.008 -0.008 -0.043  0.060  0.320
   spin  2
    eigenvalues: 
  0.428  0.447  0.963  0.971  0.979
    eigenvectors:
  0.002  0.805  0.072  0.118  0.003
  0.000  0.178  0.284  0.505  0.033
  0.073  0.008  0.285  0.065  0.569
  0.164  0.001  0.342  0.293  0.200
  0.761  0.007  0.017  0.019  0.195
    occupations:
  0.547 -0.196  0.049 -0.029  0.018
 -0.196  0.875  0.021 -0.002  0.028
  0.049  0.021  0.929  0.055  0.127
 -0.029 -0.002  0.055  0.880 -0.191
  0.018  0.028  0.127 -0.191  0.556
atomic mag. moment =    -2.572400
atom    6   Tr[ns(na)] (up, down, total) =   3.78650  1.21368  5.00018
   spin  1
    eigenvalues: 
  0.428  0.447  0.962  0.970  0.979
    eigenvectors:
  0.002  0.805  0.071  0.118  0.003
  0.000  0.178  0.281  0.508  0.033
  0.073  0.009  0.285  0.064  0.570
  0.163  0.001  0.345  0.291  0.200
  0.761  0.007  0.018  0.019  0.195
    occupations:
  0.547  0.196  0.049 -0.029 -0.018
  0.196  0.875 -0.021  0.002  0.028
  0.049 -0.021  0.929  0.055 -0.127
 -0.029  0.002  0.055  0.880  0.191
 -0.018  0.028 -0.127  0.191  0.555
   spin  2
    eigenvalues: 
  0.152  0.168  0.186  0.353  0.356
    eigenvectors:
  0.027  0.152  0.004  0.022  0.795
  0.003  0.823  0.008  0.001  0.165
  0.431  0.021  0.485  0.057  0.005
  0.384  0.000  0.494  0.122  0.000
  0.155  0.004  0.009  0.797  0.035
    occupations:
  0.321 -0.069 -0.019  0.014  0.008
 -0.069  0.199  0.007 -0.001 -0.008
 -0.019  0.007  0.181 -0.000  0.043
  0.014 -0.001 -0.000  0.193 -0.060
  0.008 -0.008  0.043 -0.060  0.320
atomic mag. moment =     2.572820
atom    7   Tr[ns(na)] (up, down, total) =   3.78650  1.21368  5.00018
   spin  1
    eigenvalues: 
  0.428  0.447  0.962  0.970  0.979
    eigenvectors:
  0.002  0.805  0.071  0.118  0.003
  0.000  0.178  0.281  0.508  0.033
  0.073  0.009  0.285  0.064  0.570
  0.163  0.001  0.345  0.291  0.200
  0.761  0.007  0.018  0.019  0.195
    occupations:
  0.547 -0.196 -0.049 -0.029 -0.018
 -0.196  0.875 -0.021 -0.002 -0.028
 -0.049 -0.021  0.929 -0.055  0.127
 -0.029 -0.002 -0.055  0.880  0.191
 -0.018 -0.028  0.127  0.191  0.555
   spin  2
    eigenvalues: 
  0.152  0.168  0.186  0.353  0.356
    eigenvectors:
  0.027  0.152  0.004  0.022  0.795
  0.003  0.823  0.008  0.001  0.165
  0.431  0.021  0.485  0.057  0.005
  0.384  0.000  0.494  0.122  0.000
  0.155  0.004  0.009  0.797  0.035
    occupations:
  0.321  0.069  0.019  0.014  0.008
  0.069  0.199  0.007  0.001  0.008
  0.019  0.007  0.181  0.000 -0.043
  0.014  0.001  0.000  0.193 -0.060
  0.008  0.008 -0.043 -0.060  0.320
atomic mag. moment =     2.572820
atom    8   Tr[ns(na)] (up, down, total) =   1.21593  3.78833  5.00426
   spin  1
    eigenvalues: 
  0.152  0.168  0.186  0.353  0.356
    eigenvectors:
  0.027  0.151  0.004  0.027  0.790
  0.003  0.823  0.008  0.002  0.164
  0.432  0.022  0.484  0.058  0.004
  0.384  0.000  0.494  0.122  0.000
  0.154  0.004  0.009  0.791  0.041
    occupations:
  0.321 -0.069  0.019  0.014 -0.008
 -0.069  0.199 -0.007 -0.001  0.008
  0.019 -0.007  0.181  0.000  0.043
  0.014 -0.001  0.000  0.193  0.060
 -0.008  0.008  0.043  0.060  0.320
   spin  2
    eigenvalues: 
  0.428  0.447  0.963  0.971  0.979
    eigenvectors:
  0.002  0.805  0.072  0.118  0.003
  0.000  0.178  0.284  0.505  0.033
  0.073  0.008  0.285  0.065  0.569
  0.164  0.001  0.342  0.293  0.200
  0.761  0.007  0.017  0.019  0.195
    occupations:
  0.547  0.196 -0.049 -0.029  0.018
  0.196  0.875  0.021  0.002 -0.028
 -0.049  0.021  0.929 -0.055 -0.127
 -0.029  0.002 -0.055  0.880 -0.191
  0.018 -0.028 -0.127 -0.191  0.556
atomic mag. moment =    -2.572400
N of occupied +U levels =   20.008874
 --- exit write_ns ---

     negative rho (up, down):  5.449E-03 5.455E-03
 --- in v_hubbard ---
Hubbard energy    0.2400
 -------

     total cpu time spent up to now is     1478.6 secs

     total energy              =   -1462.85097932 Ry
     Harris-Foulkes estimate   =   -1462.85116422 Ry
     estimated scf accuracy    <       0.00077136 Ry

     total magnetization       =     0.00 Bohr mag/cell
     absolute magnetization    =    11.46 Bohr mag/cell

     iteration #  8     ecut=    40.00 Ry     beta= 0.40
     CG style diagonalization
     c_bands:  1 eigenvalues not converged
     c_bands:  2 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  3 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  2 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  2 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  2 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  2 eigenvalues not converged
     c_bands:  2 eigenvalues not converged
     c_bands:  2 eigenvalues not converged
     c_bands:  2 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     ethr =  4.48E-07,  avg # of iterations =  4.3
 --- enter write_ns ---
 LDA+U parameters:
U( 3)     =  1.13018400
alpha( 3) =  0.00000000
U( 4)     =  1.13018400
alpha( 4) =  0.00000000
atom    5   Tr[ns(na)] (up, down, total) =   1.22016  3.78877  5.00893
   spin  1
    eigenvalues: 
  0.152  0.169  0.187  0.354  0.358
    eigenvectors:
  0.026  0.152  0.004  0.024  0.793
  0.003  0.824  0.007  0.002  0.165
  0.429  0.020  0.488  0.057  0.004
  0.387  0.000  0.491  0.121  0.000
  0.155  0.004  0.009  0.795  0.038
    occupations:
  0.323  0.069 -0.019  0.014 -0.008
  0.069  0.200 -0.007  0.001 -0.008
 -0.019 -0.007  0.182  0.000 -0.043
  0.014  0.001  0.000  0.194  0.060
 -0.008 -0.008 -0.043  0.060  0.321
   spin  2
    eigenvalues: 
  0.429  0.448  0.962  0.970  0.979
    eigenvectors:
  0.002  0.805  0.070  0.119  0.003
  0.000  0.177  0.279  0.511  0.032
  0.073  0.008  0.285  0.063  0.570
  0.163  0.001  0.348  0.288  0.200
  0.761  0.007  0.018  0.019  0.195
    occupations:
  0.548 -0.196  0.049 -0.029  0.018
 -0.196  0.876  0.021 -0.002  0.028
  0.049  0.021  0.929  0.055  0.127
 -0.029 -0.002  0.055  0.880 -0.190
  0.018  0.028  0.127 -0.190  0.556
atomic mag. moment =    -2.568611
atom    6   Tr[ns(na)] (up, down, total) =   3.79190  1.22403  5.01593
   spin  1
    eigenvalues: 
  0.430  0.449  0.963  0.971  0.979
    eigenvectors:
  0.002  0.805  0.071  0.118  0.003
  0.000  0.177  0.282  0.507  0.033
  0.073  0.008  0.286  0.064  0.569
  0.163  0.001  0.343  0.292  0.201
  0.761  0.008  0.017  0.019  0.195
    occupations:
  0.548  0.196  0.049 -0.029 -0.018
  0.196  0.876 -0.021  0.002  0.028
  0.049 -0.021  0.930  0.055 -0.127
 -0.029  0.002  0.055  0.881  0.190
 -0.018  0.028 -0.127  0.190  0.557
   spin  2
    eigenvalues: 
  0.153  0.169  0.188  0.355  0.358
    eigenvectors:
  0.027  0.151  0.004  0.028  0.790
  0.003  0.824  0.008  0.002  0.164
  0.431  0.021  0.486  0.058  0.004
  0.386  0.000  0.493  0.121  0.000
  0.154  0.004  0.009  0.791  0.043
    occupations:
  0.324 -0.069 -0.019  0.014  0.008
 -0.069  0.201  0.007 -0.001 -0.008
 -0.019  0.007  0.183  0.000  0.043
  0.014 -0.001  0.000  0.195 -0.060
  0.008 -0.008  0.043 -0.060  0.322
atomic mag. moment =     2.567863
atom    7   Tr[ns(na)] (up, down, total) =   3.79190  1.22403  5.01593
   spin  1
    eigenvalues: 
  0.430  0.449  0.963  0.971  0.979
    eigenvectors:
  0.002  0.805  0.071  0.118  0.003
  0.000  0.177  0.282  0.507  0.033
  0.073  0.008  0.286  0.064  0.569
  0.163  0.001  0.343  0.292  0.201
  0.761  0.008  0.017  0.019  0.195
    occupations:
  0.548 -0.196 -0.049 -0.029 -0.018
 -0.196  0.876 -0.021 -0.002 -0.028
 -0.049 -0.021  0.930 -0.055  0.127
 -0.029 -0.002 -0.055  0.881  0.190
 -0.018 -0.028  0.127  0.190  0.557
   spin  2
    eigenvalues: 
  0.153  0.169  0.188  0.355  0.358
    eigenvectors:
  0.027  0.151  0.004  0.028  0.790
  0.003  0.824  0.008  0.002  0.164
  0.431  0.021  0.486  0.058  0.004
  0.386  0.000  0.493  0.121  0.000
  0.154  0.004  0.009  0.791  0.043
    occupations:
  0.324  0.069  0.019  0.014  0.008
  0.069  0.201  0.007  0.001  0.008
  0.019  0.007  0.183 -0.000 -0.043
  0.014  0.001 -0.000  0.195 -0.060
  0.008  0.008 -0.043 -0.060  0.322
atomic mag. moment =     2.567863
atom    8   Tr[ns(na)] (up, down, total) =   1.22016  3.78877  5.00893
   spin  1
    eigenvalues: 
  0.152  0.169  0.187  0.354  0.358
    eigenvectors:
  0.026  0.152  0.004  0.024  0.793
  0.003  0.824  0.007  0.002  0.165
  0.429  0.020  0.488  0.057  0.004
  0.387  0.000  0.491  0.121  0.000
  0.155  0.004  0.009  0.795  0.038
    occupations:
  0.323 -0.069  0.019  0.014 -0.008
 -0.069  0.200 -0.007 -0.001  0.008
  0.019 -0.007  0.182 -0.000  0.043
  0.014 -0.001 -0.000  0.194  0.060
 -0.008  0.008  0.043  0.060  0.321
   spin  2
    eigenvalues: 
  0.429  0.448  0.962  0.970  0.979
    eigenvectors:
  0.002  0.805  0.070  0.119  0.003
  0.000  0.177  0.279  0.511  0.032
  0.073  0.008  0.285  0.063  0.570
  0.163  0.001  0.348  0.288  0.200
  0.761  0.007  0.018  0.019  0.195
    occupations:
  0.548  0.196 -0.049 -0.029  0.018
  0.196  0.876  0.021  0.002 -0.028
 -0.049  0.021  0.929 -0.055 -0.127
 -0.029  0.002 -0.055  0.880 -0.190
  0.018 -0.028 -0.127 -0.190  0.556
atomic mag. moment =    -2.568611
N of occupied +U levels =   20.049708
 --- exit write_ns ---

     negative rho (up, down):  5.320E-03 5.314E-03
 --- in v_hubbard ---
Hubbard energy    0.2413
 -------

     total cpu time spent up to now is     1695.8 secs

     total energy              =   -1462.85144160 Ry
     Harris-Foulkes estimate   =   -1462.85137234 Ry
     estimated scf accuracy    <       0.00019421 Ry

     total magnetization       =     0.00 Bohr mag/cell
     absolute magnetization    =    11.44 Bohr mag/cell

     iteration #  9     ecut=    40.00 Ry     beta= 0.40
     CG style diagonalization
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     ethr =  1.13E-07,  avg # of iterations =  3.8
 --- enter write_ns ---
 LDA+U parameters:
U( 3)     =  1.13018400
alpha( 3) =  0.00000000
U( 4)     =  1.13018400
alpha( 4) =  0.00000000
atom    5   Tr[ns(na)] (up, down, total) =   1.22779  3.79110  5.01889
   spin  1
    eigenvalues: 
  0.153  0.170  0.189  0.356  0.360
    eigenvectors:
  0.027  0.151  0.004  0.029  0.789
  0.003  0.824  0.008  0.002  0.163
  0.430  0.021  0.486  0.058  0.004
  0.386  0.000  0.492  0.121  0.000
  0.154  0.004  0.009  0.790  0.044
    occupations:
  0.325  0.070 -0.019  0.014 -0.008
  0.070  0.201 -0.007  0.001 -0.008
 -0.019 -0.007  0.183  0.000 -0.043
  0.014  0.001  0.000  0.195  0.060
 -0.008 -0.008 -0.043  0.060  0.323
   spin  2
    eigenvalues: 
  0.430  0.448  0.963  0.971  0.979
    eigenvectors:
  0.002  0.805  0.071  0.119  0.003
  0.000  0.177  0.279  0.511  0.032
  0.073  0.008  0.286  0.064  0.570
  0.163  0.001  0.347  0.288  0.201
  0.761  0.008  0.018  0.019  0.195
    occupations:
  0.548 -0.196  0.049 -0.029  0.018
 -0.196  0.876  0.021 -0.002  0.028
  0.049  0.021  0.930  0.055  0.127
 -0.029 -0.002  0.055  0.881 -0.190
  0.018  0.028  0.127 -0.190  0.557
atomic mag. moment =    -2.563306
atom    6   Tr[ns(na)] (up, down, total) =   3.78809  1.22406  5.01215
   spin  1
    eigenvalues: 
  0.429  0.448  0.962  0.970  0.979
    eigenvectors:
  0.002  0.805  0.070  0.120  0.003
  0.000  0.177  0.276  0.514  0.032
  0.073  0.008  0.285  0.063  0.571
  0.163  0.001  0.351  0.285  0.200
  0.762  0.007  0.018  0.018  0.194
    occupations:
  0.547  0.196  0.049 -0.029 -0.018
  0.196  0.875 -0.021  0.002  0.028
  0.049 -0.021  0.929  0.055 -0.127
 -0.029  0.002  0.055  0.880  0.190
 -0.018  0.028 -0.127  0.190  0.556
   spin  2
    eigenvalues: 
  0.153  0.169  0.188  0.355  0.359
    eigenvectors:
  0.026  0.152  0.004  0.027  0.791
  0.003  0.824  0.008  0.002  0.164
  0.429  0.021  0.489  0.058  0.004
  0.388  0.000  0.491  0.121  0.000
  0.154  0.004  0.009  0.792  0.041
    occupations:
  0.324 -0.070 -0.019  0.014  0.008
 -0.070  0.201  0.007 -0.001 -0.008
 -0.019  0.007  0.183  0.000  0.043
  0.014 -0.001  0.000  0.195 -0.060
  0.008 -0.008  0.043 -0.060  0.322
atomic mag. moment =     2.564032
atom    7   Tr[ns(na)] (up, down, total) =   3.78809  1.22406  5.01215
   spin  1
    eigenvalues: 
  0.429  0.448  0.962  0.970  0.979
    eigenvectors:
  0.002  0.805  0.070  0.120  0.003
  0.000  0.177  0.276  0.514  0.032
  0.073  0.008  0.285  0.063  0.571
  0.163  0.001  0.351  0.285  0.200
  0.762  0.007  0.018  0.018  0.194
    occupations:
  0.547 -0.196 -0.049 -0.029 -0.018
 -0.196  0.875 -0.021 -0.002 -0.028
 -0.049 -0.021  0.929 -0.055  0.127
 -0.029 -0.002 -0.055  0.880  0.190
 -0.018 -0.028  0.127  0.190  0.556
   spin  2
    eigenvalues: 
  0.153  0.169  0.188  0.355  0.359
    eigenvectors:
  0.026  0.152  0.004  0.027  0.791
  0.003  0.824  0.008  0.002  0.164
  0.429  0.021  0.489  0.058  0.004
  0.388  0.000  0.491  0.121  0.000
  0.154  0.004  0.009  0.792  0.041
    occupations:
  0.324  0.070  0.019  0.014  0.008
  0.070  0.201  0.007  0.001  0.008
  0.019  0.007  0.183 -0.000 -0.043
  0.014  0.001 -0.000  0.195 -0.060
  0.008  0.008 -0.043 -0.060  0.322
atomic mag. moment =     2.564032
atom    8   Tr[ns(na)] (up, down, total) =   1.22779  3.79110  5.01889
   spin  1
    eigenvalues: 
  0.153  0.170  0.189  0.356  0.360
    eigenvectors:
  0.027  0.151  0.004  0.029  0.789
  0.003  0.824  0.008  0.002  0.163
  0.430  0.021  0.486  0.058  0.004
  0.386  0.000  0.492  0.121  0.000
  0.154  0.004  0.009  0.790  0.044
    occupations:
  0.325 -0.070  0.019  0.014 -0.008
 -0.070  0.201 -0.007 -0.001  0.008
  0.019 -0.007  0.183 -0.000  0.043
  0.014 -0.001 -0.000  0.195  0.060
 -0.008  0.008  0.043  0.060  0.323
   spin  2
    eigenvalues: 
  0.430  0.448  0.963  0.971  0.979
    eigenvectors:
  0.002  0.805  0.071  0.119  0.003
  0.000  0.177  0.279  0.511  0.032
  0.073  0.008  0.286  0.064  0.570
  0.163  0.001  0.347  0.288  0.201
  0.761  0.008  0.018  0.019  0.195
    occupations:
  0.548  0.196 -0.049 -0.029  0.018
  0.196  0.876  0.021  0.002 -0.028
 -0.049  0.021  0.930 -0.055 -0.127
 -0.029  0.002 -0.055  0.881 -0.190
  0.018 -0.028 -0.127 -0.190  0.557
atomic mag. moment =    -2.563306
N of occupied +U levels =   20.062081
 --- exit write_ns ---

     negative rho (up, down):  5.186E-03 5.186E-03
 --- in v_hubbard ---
Hubbard energy    0.2427
 -------

     total cpu time spent up to now is     1884.8 secs

     total energy              =   -1462.85150832 Ry
     Harris-Foulkes estimate   =   -1462.85151617 Ry
     estimated scf accuracy    <       0.00019871 Ry

     total magnetization       =    -0.00 Bohr mag/cell
     absolute magnetization    =    11.42 Bohr mag/cell

     iteration # 10     ecut=    40.00 Ry     beta= 0.40
     CG style diagonalization
     c_bands:  2 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     ethr =  1.13E-07,  avg # of iterations =  3.1
 --- enter write_ns ---
 LDA+U parameters:
U( 3)     =  1.13018400
alpha( 3) =  0.00000000
U( 4)     =  1.13018400
alpha( 4) =  0.00000000
atom    5   Tr[ns(na)] (up, down, total) =   1.22651  3.78628  5.01279
   spin  1
    eigenvalues: 
  0.153  0.170  0.188  0.356  0.359
    eigenvectors:
  0.027  0.151  0.004  0.029  0.789
  0.003  0.824  0.008  0.002  0.163
  0.430  0.021  0.487  0.058  0.004
  0.387  0.000  0.492  0.121  0.000
  0.154  0.004  0.009  0.790  0.043
    occupations:
  0.324  0.070 -0.019  0.014 -0.008
  0.070  0.201 -0.007  0.001 -0.008
 -0.019 -0.007  0.183  0.000 -0.043
  0.014  0.001  0.000  0.195  0.060
 -0.008 -0.008 -0.043  0.060  0.323
   spin  2
    eigenvalues: 
  0.428  0.447  0.962  0.970  0.979
    eigenvectors:
  0.002  0.805  0.069  0.120  0.003
  0.000  0.178  0.275  0.516  0.031
  0.073  0.008  0.285  0.063  0.571
  0.163  0.001  0.353  0.283  0.200
  0.762  0.007  0.018  0.018  0.194
    occupations:
  0.547 -0.196  0.049 -0.029  0.018
 -0.196  0.875  0.021 -0.002  0.028
  0.049  0.021  0.929  0.055  0.127
 -0.029 -0.002  0.055  0.880 -0.190
  0.018  0.028  0.127 -0.190  0.555
atomic mag. moment =    -2.559762
atom    6   Tr[ns(na)] (up, down, total) =   3.78663  1.22668  5.01331
   spin  1
    eigenvalues: 
  0.428  0.447  0.962  0.970  0.979
    eigenvectors:
  0.002  0.805  0.069  0.120  0.003
  0.000  0.178  0.275  0.516  0.031
  0.073  0.008  0.285  0.063  0.571
  0.163  0.001  0.352  0.283  0.200
  0.762  0.007  0.018  0.018  0.194
    occupations:
  0.547  0.196  0.049 -0.029 -0.018
  0.196  0.875 -0.021  0.002  0.028
  0.049 -0.021  0.929  0.055 -0.127
 -0.029  0.002  0.055  0.880  0.190
 -0.018  0.028 -0.127  0.190  0.555
   spin  2
    eigenvalues: 
  0.153  0.170  0.188  0.356  0.359
    eigenvectors:
  0.027  0.151  0.004  0.029  0.789
  0.003  0.824  0.008  0.002  0.163
  0.430  0.021  0.487  0.058  0.004
  0.387  0.000  0.492  0.121  0.000
  0.154  0.004  0.009  0.790  0.043
    occupations:
  0.324 -0.070 -0.019  0.014  0.008
 -0.070  0.201  0.007 -0.001 -0.008
 -0.019  0.007  0.183  0.000  0.043
  0.014 -0.001  0.000  0.195 -0.060
  0.008 -0.008  0.043 -0.060  0.323
atomic mag. moment =     2.559954
atom    7   Tr[ns(na)] (up, down, total) =   3.78663  1.22668  5.01331
   spin  1
    eigenvalues: 
  0.428  0.447  0.962  0.970  0.979
    eigenvectors:
  0.002  0.805  0.069  0.120  0.003
  0.000  0.178  0.275  0.516  0.031
  0.073  0.008  0.285  0.063  0.571
  0.163  0.001  0.352  0.283  0.200
  0.762  0.007  0.018  0.018  0.194
    occupations:
  0.547 -0.196 -0.049 -0.029 -0.018
 -0.196  0.875 -0.021 -0.002 -0.028
 -0.049 -0.021  0.929 -0.055  0.127
 -0.029 -0.002 -0.055  0.880  0.190
 -0.018 -0.028  0.127  0.190  0.555
   spin  2
    eigenvalues: 
  0.153  0.170  0.188  0.356  0.359
    eigenvectors:
  0.027  0.151  0.004  0.029  0.789
  0.003  0.824  0.008  0.002  0.163
  0.430  0.021  0.487  0.058  0.004
  0.387  0.000  0.492  0.121  0.000
  0.154  0.004  0.009  0.790  0.043
    occupations:
  0.324  0.070  0.019  0.014  0.008
  0.070  0.201  0.007  0.001  0.008
  0.019  0.007  0.183 -0.000 -0.043
  0.014  0.001 -0.000  0.195 -0.060
  0.008  0.008 -0.043 -0.060  0.323
atomic mag. moment =     2.559954
atom    8   Tr[ns(na)] (up, down, total) =   1.22651  3.78628  5.01279
   spin  1
    eigenvalues: 
  0.153  0.170  0.188  0.356  0.359
    eigenvectors:
  0.027  0.151  0.004  0.029  0.789
  0.003  0.824  0.008  0.002  0.163
  0.430  0.021  0.487  0.058  0.004
  0.387  0.000  0.492  0.121  0.000
  0.154  0.004  0.009  0.790  0.043
    occupations:
  0.324 -0.070  0.019  0.014 -0.008
 -0.070  0.201 -0.007 -0.001  0.008
  0.019 -0.007  0.183 -0.000  0.043
  0.014 -0.001 -0.000  0.195  0.060
 -0.008  0.008  0.043  0.060  0.323
   spin  2
    eigenvalues: 
  0.428  0.447  0.962  0.970  0.979
    eigenvectors:
  0.002  0.805  0.069  0.120  0.003
  0.000  0.178  0.275  0.516  0.031
  0.073  0.008  0.285  0.063  0.571
  0.163  0.001  0.353  0.283  0.200
  0.762  0.007  0.018  0.018  0.194
    occupations:
  0.547  0.196 -0.049 -0.029  0.018
  0.196  0.875  0.021  0.002 -0.028
 -0.049  0.021  0.929 -0.055 -0.127
 -0.029  0.002 -0.055  0.880 -0.190
  0.018 -0.028 -0.127 -0.190  0.555
atomic mag. moment =    -2.559762
N of occupied +U levels =   20.052206
 --- exit write_ns ---

     negative rho (up, down):  5.195E-03 5.195E-03
 --- in v_hubbard ---
Hubbard energy    0.2426
 -------

     total cpu time spent up to now is     2033.3 secs

     total energy              =   -1462.85153434 Ry
     Harris-Foulkes estimate   =   -1462.85154003 Ry
     estimated scf accuracy    <       0.00002191 Ry

     total magnetization       =     0.00 Bohr mag/cell
     absolute magnetization    =    11.40 Bohr mag/cell

     iteration # 11     ecut=    40.00 Ry     beta= 0.40
     CG style diagonalization
     ethr =  1.27E-08,  avg # of iterations =  4.1
 --- enter write_ns ---
 LDA+U parameters:
U( 3)     =  1.13018400
alpha( 3) =  0.00000000
U( 4)     =  1.13018400
alpha( 4) =  0.00000000
atom    5   Tr[ns(na)] (up, down, total) =   1.22628  3.78606  5.01234
   spin  1
    eigenvalues: 
  0.153  0.170  0.188  0.356  0.360
    eigenvectors:
  0.026  0.151  0.004  0.027  0.791
  0.003  0.824  0.008  0.002  0.164
  0.430  0.021  0.488  0.058  0.004
  0.387  0.000  0.491  0.121  0.000
  0.154  0.004  0.009  0.792  0.042
    occupations:
  0.324  0.070 -0.019  0.014 -0.008
  0.070  0.201 -0.007  0.001 -0.008
 -0.019 -0.007  0.183  0.000 -0.043
  0.014  0.001  0.000  0.195  0.060
 -0.008 -0.008 -0.043  0.060  0.323
   spin  2
    eigenvalues: 
  0.428  0.446  0.962  0.970  0.979
    eigenvectors:
  0.002  0.805  0.069  0.120  0.003
  0.000  0.178  0.274  0.517  0.031
  0.073  0.008  0.285  0.063  0.571
  0.163  0.001  0.353  0.282  0.200
  0.762  0.007  0.018  0.018  0.195
    occupations:
  0.547 -0.196  0.049 -0.029  0.018
 -0.196  0.875  0.021 -0.002  0.028
  0.049  0.021  0.929  0.055  0.127
 -0.029 -0.002  0.055  0.880 -0.191
  0.018  0.028  0.127 -0.191  0.555
atomic mag. moment =    -2.559784
atom    6   Tr[ns(na)] (up, down, total) =   3.78597  1.22609  5.01206
   spin  1
    eigenvalues: 
  0.428  0.446  0.962  0.970  0.979
    eigenvectors:
  0.002  0.805  0.069  0.120  0.003
  0.000  0.178  0.274  0.517  0.031
  0.073  0.008  0.285  0.063  0.571
  0.163  0.001  0.353  0.282  0.200
  0.762  0.007  0.018  0.018  0.195
    occupations:
  0.547  0.196  0.049 -0.029 -0.018
  0.196  0.875 -0.021  0.002  0.028
  0.049 -0.021  0.929  0.055 -0.127
 -0.029  0.002  0.055  0.880  0.191
 -0.018  0.028 -0.127  0.191  0.555
   spin  2
    eigenvalues: 
  0.153  0.169  0.188  0.356  0.359
    eigenvectors:
  0.027  0.151  0.004  0.028  0.790
  0.003  0.824  0.008  0.002  0.164
  0.430  0.021  0.488  0.058  0.004
  0.387  0.000  0.491  0.121  0.000
  0.154  0.004  0.009  0.792  0.042
    occupations:
  0.324 -0.070 -0.019  0.014  0.008
 -0.070  0.201  0.007 -0.001 -0.008
 -0.019  0.007  0.183  0.000  0.043
  0.014 -0.001  0.000  0.195 -0.060
  0.008 -0.008  0.043 -0.060  0.323
atomic mag. moment =     2.559874
atom    7   Tr[ns(na)] (up, down, total) =   3.78597  1.22609  5.01206
   spin  1
    eigenvalues: 
  0.428  0.446  0.962  0.970  0.979
    eigenvectors:
  0.002  0.805  0.069  0.120  0.003
  0.000  0.178  0.274  0.517  0.031
  0.073  0.008  0.285  0.063  0.571
  0.163  0.001  0.353  0.282  0.200
  0.762  0.007  0.018  0.018  0.195
    occupations:
  0.547 -0.196 -0.049 -0.029 -0.018
 -0.196  0.875 -0.021 -0.002 -0.028
 -0.049 -0.021  0.929 -0.055  0.127
 -0.029 -0.002 -0.055  0.880  0.191
 -0.018 -0.028  0.127  0.191  0.555
   spin  2
    eigenvalues: 
  0.153  0.169  0.188  0.356  0.359
    eigenvectors:
  0.027  0.151  0.004  0.028  0.790
  0.003  0.824  0.008  0.002  0.164
  0.430  0.021  0.488  0.058  0.004
  0.387  0.000  0.491  0.121  0.000
  0.154  0.004  0.009  0.792  0.042
    occupations:
  0.324  0.070  0.019  0.014  0.008
  0.070  0.201  0.007  0.001  0.008
  0.019  0.007  0.183 -0.000 -0.043
  0.014  0.001 -0.000  0.195 -0.060
  0.008  0.008 -0.043 -0.060  0.323
atomic mag. moment =     2.559874
atom    8   Tr[ns(na)] (up, down, total) =   1.22628  3.78606  5.01234
   spin  1
    eigenvalues: 
  0.153  0.170  0.188  0.356  0.360
    eigenvectors:
  0.026  0.151  0.004  0.027  0.791
  0.003  0.824  0.008  0.002  0.164
  0.430  0.021  0.488  0.058  0.004
  0.387  0.000  0.491  0.121  0.000
  0.154  0.004  0.009  0.792  0.042
    occupations:
  0.324 -0.070  0.019  0.014 -0.008
 -0.070  0.201 -0.007 -0.001  0.008
  0.019 -0.007  0.183 -0.000  0.043
  0.014 -0.001 -0.000  0.195  0.060
 -0.008  0.008  0.043  0.060  0.323
   spin  2
    eigenvalues: 
  0.428  0.446  0.962  0.970  0.979
    eigenvectors:
  0.002  0.805  0.069  0.120  0.003
  0.000  0.178  0.274  0.517  0.031
  0.073  0.008  0.285  0.063  0.571
  0.163  0.001  0.353  0.282  0.200
  0.762  0.007  0.018  0.018  0.195
    occupations:
  0.547  0.196 -0.049 -0.029  0.018
  0.196  0.875  0.021  0.002 -0.028
 -0.049  0.021  0.929 -0.055 -0.127
 -0.029  0.002 -0.055  0.880 -0.191
  0.018 -0.028 -0.127 -0.191  0.555
atomic mag. moment =    -2.559784
N of occupied +U levels =   20.048787
 --- exit write_ns ---

     negative rho (up, down):  5.170E-03 5.171E-03
 --- in v_hubbard ---
Hubbard energy    0.2428
 -------

     total cpu time spent up to now is     2239.4 secs

     total energy              =   -1462.85154319 Ry
     Harris-Foulkes estimate   =   -1462.85154270 Ry
     estimated scf accuracy    <       0.00000345 Ry

     total magnetization       =     0.00 Bohr mag/cell
     absolute magnetization    =    11.40 Bohr mag/cell

     iteration # 12     ecut=    40.00 Ry     beta= 0.40
     CG style diagonalization
     ethr =  2.01E-09,  avg # of iterations =  4.5
 --- enter write_ns ---
 LDA+U parameters:
U( 3)     =  1.13018400
alpha( 3) =  0.00000000
U( 4)     =  1.13018400
alpha( 4) =  0.00000000
atom    5   Tr[ns(na)] (up, down, total) =   1.22633  3.78498  5.01131
   spin  1
    eigenvalues: 
  0.153  0.170  0.188  0.356  0.360
    eigenvectors:
  0.027  0.151  0.004  0.027  0.791
  0.003  0.824  0.008  0.002  0.164
  0.430  0.021  0.488  0.058  0.004
  0.387  0.000  0.491  0.121  0.000
  0.154  0.004  0.009  0.793  0.041
    occupations:
  0.325  0.070 -0.019  0.014 -0.008
  0.070  0.201 -0.007  0.001 -0.008
 -0.019 -0.007  0.183  0.000 -0.043
  0.014  0.001  0.000  0.195  0.060
 -0.008 -0.008 -0.043  0.060  0.323
   spin  2
    eigenvalues: 
  0.428  0.446  0.962  0.970  0.979
    eigenvectors:
  0.002  0.805  0.069  0.121  0.003
  0.000  0.178  0.273  0.519  0.031
  0.073  0.008  0.285  0.063  0.571
  0.163  0.001  0.355  0.280  0.201
  0.762  0.007  0.019  0.018  0.195
    occupations:
  0.546 -0.197  0.050 -0.029  0.018
 -0.197  0.875  0.021 -0.002  0.028
  0.050  0.021  0.929  0.055  0.127
 -0.029 -0.002  0.055  0.880 -0.191
  0.018  0.028  0.127 -0.191  0.555
atomic mag. moment =    -2.558650
atom    6   Tr[ns(na)] (up, down, total) =   3.78501  1.22631  5.01132
   spin  1
    eigenvalues: 
  0.428  0.446  0.962  0.970  0.979
    eigenvectors:
  0.002  0.805  0.069  0.121  0.003
  0.000  0.178  0.273  0.519  0.031
  0.073  0.008  0.285  0.063  0.571
  0.163  0.001  0.355  0.280  0.201
  0.762  0.007  0.019  0.018  0.195
    occupations:
  0.546  0.197  0.050 -0.029 -0.018
  0.197  0.875 -0.021  0.002  0.028
  0.050 -0.021  0.929  0.055 -0.127
 -0.029  0.002  0.055  0.880  0.191
 -0.018  0.028 -0.127  0.191  0.555
   spin  2
    eigenvalues: 
  0.153  0.170  0.188  0.356  0.360
    eigenvectors:
  0.027  0.151  0.004  0.027  0.791
  0.003  0.824  0.008  0.002  0.164
  0.430  0.021  0.488  0.058  0.004
  0.387  0.000  0.491  0.121  0.000
  0.154  0.004  0.009  0.792  0.041
    occupations:
  0.325 -0.070 -0.019  0.014  0.008
 -0.070  0.201  0.007 -0.001 -0.008
 -0.019  0.007  0.183  0.000  0.043
  0.014 -0.001  0.000  0.195 -0.060
  0.008 -0.008  0.043 -0.060  0.323
atomic mag. moment =     2.558696
atom    7   Tr[ns(na)] (up, down, total) =   3.78501  1.22631  5.01132
   spin  1
    eigenvalues: 
  0.428  0.446  0.962  0.970  0.979
    eigenvectors:
  0.002  0.805  0.069  0.121  0.003
  0.000  0.178  0.273  0.519  0.031
  0.073  0.008  0.285  0.063  0.571
  0.163  0.001  0.355  0.280  0.201
  0.762  0.007  0.019  0.018  0.195
    occupations:
  0.546 -0.197 -0.050 -0.029 -0.018
 -0.197  0.875 -0.021 -0.002 -0.028
 -0.050 -0.021  0.929 -0.055  0.127
 -0.029 -0.002 -0.055  0.880  0.191
 -0.018 -0.028  0.127  0.191  0.555
   spin  2
    eigenvalues: 
  0.153  0.170  0.188  0.356  0.360
    eigenvectors:
  0.027  0.151  0.004  0.027  0.791
  0.003  0.824  0.008  0.002  0.164
  0.430  0.021  0.488  0.058  0.004
  0.387  0.000  0.491  0.121  0.000
  0.154  0.004  0.009  0.792  0.041
    occupations:
  0.325  0.070  0.019  0.014  0.008
  0.070  0.201  0.007  0.001  0.008
  0.019  0.007  0.183 -0.000 -0.043
  0.014  0.001 -0.000  0.195 -0.060
  0.008  0.008 -0.043 -0.060  0.323
atomic mag. moment =     2.558696
atom    8   Tr[ns(na)] (up, down, total) =   1.22633  3.78498  5.01131
   spin  1
    eigenvalues: 
  0.153  0.170  0.188  0.356  0.360
    eigenvectors:
  0.027  0.151  0.004  0.027  0.791
  0.003  0.824  0.008  0.002  0.164
  0.430  0.021  0.488  0.058  0.004
  0.387  0.000  0.491  0.121  0.000
  0.154  0.004  0.009  0.793  0.041
    occupations:
  0.325 -0.070  0.019  0.014 -0.008
 -0.070  0.201 -0.007 -0.001  0.008
  0.019 -0.007  0.183 -0.000  0.043
  0.014 -0.001 -0.000  0.195  0.060
 -0.008  0.008  0.043  0.060  0.323
   spin  2
    eigenvalues: 
  0.428  0.446  0.962  0.970  0.979
    eigenvectors:
  0.002  0.805  0.069  0.121  0.003
  0.000  0.178  0.273  0.519  0.031
  0.073  0.008  0.285  0.063  0.571
  0.163  0.001  0.355  0.280  0.201
  0.762  0.007  0.019  0.018  0.195
    occupations:
  0.546  0.197 -0.050 -0.029  0.018
  0.197  0.875  0.021  0.002 -0.028
 -0.050  0.021  0.929 -0.055 -0.127
 -0.029  0.002 -0.055  0.880 -0.191
  0.018 -0.028 -0.127 -0.191  0.555
atomic mag. moment =    -2.558650
N of occupied +U levels =   20.045272
 --- exit write_ns ---

     negative rho (up, down):  5.182E-03 5.183E-03
 --- in v_hubbard ---
Hubbard energy    0.2427
 -------

     total cpu time spent up to now is     2468.7 secs

     total energy              =   -1462.85154623 Ry
     Harris-Foulkes estimate   =   -1462.85154676 Ry
     estimated scf accuracy    <       0.00000245 Ry

     total magnetization       =     0.00 Bohr mag/cell
     absolute magnetization    =    11.40 Bohr mag/cell

     iteration # 13     ecut=    40.00 Ry     beta= 0.40
     CG style diagonalization
     ethr =  1.42E-09,  avg # of iterations =  3.6
 --- enter write_ns ---
 LDA+U parameters:
U( 3)     =  1.13018400
alpha( 3) =  0.00000000
U( 4)     =  1.13018400
alpha( 4) =  0.00000000
atom    5   Tr[ns(na)] (up, down, total) =   1.22659  3.78539  5.01198
   spin  1
    eigenvalues: 
  0.153  0.170  0.188  0.356  0.360
    eigenvectors:
  0.026  0.151  0.004  0.027  0.791
  0.003  0.824  0.008  0.002  0.164
  0.429  0.021  0.488  0.058  0.004
  0.388  0.000  0.491  0.121  0.000
  0.154  0.004  0.009  0.793  0.041
    occupations:
  0.325  0.070 -0.019  0.014 -0.008
  0.070  0.201 -0.007  0.001 -0.008
 -0.019 -0.007  0.183  0.000 -0.043
  0.014  0.001  0.000  0.195  0.060
 -0.008 -0.008 -0.043  0.060  0.323
   spin  2
    eigenvalues: 
  0.428  0.446  0.962  0.970  0.979
    eigenvectors:
  0.002  0.805  0.069  0.120  0.003
  0.000  0.178  0.273  0.519  0.031
  0.073  0.008  0.285  0.063  0.571
  0.163  0.001  0.355  0.280  0.201
  0.762  0.007  0.019  0.018  0.195
    occupations:
  0.546 -0.197  0.049 -0.029  0.018
 -0.197  0.875  0.021 -0.002  0.028
  0.049  0.021  0.929  0.055  0.127
 -0.029 -0.002  0.055  0.880 -0.191
  0.018  0.028  0.127 -0.191  0.555
atomic mag. moment =    -2.558800
atom    6   Tr[ns(na)] (up, down, total) =   3.78540  1.22657  5.01197
   spin  1
    eigenvalues: 
  0.428  0.446  0.962  0.970  0.979
    eigenvectors:
  0.002  0.805  0.069  0.120  0.003
  0.000  0.178  0.273  0.519  0.031
  0.073  0.008  0.285  0.063  0.571
  0.163  0.001  0.355  0.280  0.201
  0.762  0.007  0.019  0.018  0.195
    occupations:
  0.546  0.197  0.049 -0.029 -0.018
  0.197  0.875 -0.021  0.002  0.028
  0.049 -0.021  0.929  0.055 -0.127
 -0.029  0.002  0.055  0.880  0.191
 -0.018  0.028 -0.127  0.191  0.555
   spin  2
    eigenvalues: 
  0.153  0.170  0.188  0.356  0.360
    eigenvectors:
  0.026  0.151  0.004  0.027  0.791
  0.003  0.824  0.008  0.002  0.164
  0.429  0.021  0.488  0.058  0.004
  0.388  0.000  0.491  0.121  0.000
  0.154  0.004  0.009  0.793  0.041
    occupations:
  0.325 -0.070 -0.019  0.014  0.008
 -0.070  0.201  0.007 -0.001 -0.008
 -0.019  0.007  0.183  0.000  0.043
  0.014 -0.001  0.000  0.195 -0.060
  0.008 -0.008  0.043 -0.060  0.323
atomic mag. moment =     2.558827
atom    7   Tr[ns(na)] (up, down, total) =   3.78540  1.22657  5.01197
   spin  1
    eigenvalues: 
  0.428  0.446  0.962  0.970  0.979
    eigenvectors:
  0.002  0.805  0.069  0.120  0.003
  0.000  0.178  0.273  0.519  0.031
  0.073  0.008  0.285  0.063  0.571
  0.163  0.001  0.355  0.280  0.201
  0.762  0.007  0.019  0.018  0.195
    occupations:
  0.546 -0.197 -0.049 -0.029 -0.018
 -0.197  0.875 -0.021 -0.002 -0.028
 -0.049 -0.021  0.929 -0.055  0.127
 -0.029 -0.002 -0.055  0.880  0.191
 -0.018 -0.028  0.127  0.191  0.555
   spin  2
    eigenvalues: 
  0.153  0.170  0.188  0.356  0.360
    eigenvectors:
  0.026  0.151  0.004  0.027  0.791
  0.003  0.824  0.008  0.002  0.164
  0.429  0.021  0.488  0.058  0.004
  0.388  0.000  0.491  0.121  0.000
  0.154  0.004  0.009  0.793  0.041
    occupations:
  0.325  0.070  0.019  0.014  0.008
  0.070  0.201  0.007  0.001  0.008
  0.019  0.007  0.183 -0.000 -0.043
  0.014  0.001 -0.000  0.195 -0.060
  0.008  0.008 -0.043 -0.060  0.323
atomic mag. moment =     2.558827
atom    8   Tr[ns(na)] (up, down, total) =   1.22659  3.78539  5.01198
   spin  1
    eigenvalues: 
  0.153  0.170  0.188  0.356  0.360
    eigenvectors:
  0.026  0.151  0.004  0.027  0.791
  0.003  0.824  0.008  0.002  0.164
  0.429  0.021  0.488  0.058  0.004
  0.388  0.000  0.491  0.121  0.000
  0.154  0.004  0.009  0.793  0.041
    occupations:
  0.325 -0.070  0.019  0.014 -0.008
 -0.070  0.201 -0.007 -0.001  0.008
  0.019 -0.007  0.183 -0.000  0.043
  0.014 -0.001 -0.000  0.195  0.060
 -0.008  0.008  0.043  0.060  0.323
   spin  2
    eigenvalues: 
  0.428  0.446  0.962  0.970  0.979
    eigenvectors:
  0.002  0.805  0.069  0.120  0.003
  0.000  0.178  0.273  0.519  0.031
  0.073  0.008  0.285  0.063  0.571
  0.163  0.001  0.355  0.280  0.201
  0.762  0.007  0.019  0.018  0.195
    occupations:
  0.546  0.197 -0.049 -0.029  0.018
  0.197  0.875  0.021  0.002 -0.028
 -0.049  0.021  0.929 -0.055 -0.127
 -0.029  0.002 -0.055  0.880 -0.191
  0.018 -0.028 -0.127 -0.191  0.555
atomic mag. moment =    -2.558800
N of occupied +U levels =   20.047898
 --- exit write_ns ---

     negative rho (up, down):  5.186E-03 5.186E-03
 --- in v_hubbard ---
Hubbard energy    0.2426
 -------

     Magnetic moment per site:
     atom:    1    charge:    6.9190    magn:   -0.0011    constr:    0.0000
     atom:    2    charge:    6.9190    magn:    0.0011    constr:    0.0000
     atom:    3    charge:    6.9190    magn:    0.0011    constr:    0.0000
     atom:    4    charge:    6.9190    magn:   -0.0011    constr:    0.0000
     atom:    5    charge:   10.7134    magn:   -2.1490    constr:    0.0000
     atom:    6    charge:   10.7134    magn:    2.1490    constr:    0.0000
     atom:    7    charge:   10.7134    magn:    2.1490    constr:    0.0000
     atom:    8    charge:   10.7134    magn:   -2.1490    constr:    0.0000
     atom:    9    charge:    5.3103    magn:   -0.0008    constr:    0.0000
     atom:   10    charge:    5.3103    magn:    0.0008    constr:    0.0000
     atom:   11    charge:    5.3103    magn:    0.0008    constr:    0.0000
     atom:   12    charge:    5.3103    magn:   -0.0008    constr:    0.0000
     atom:   13    charge:    5.3103    magn:   -0.0008    constr:    0.0000
     atom:   14    charge:    5.3103    magn:    0.0008    constr:    0.0000
     atom:   15    charge:    5.3103    magn:    0.0008    constr:    0.0000
     atom:   16    charge:    5.3103    magn:   -0.0008    constr:    0.0000
     atom:   17    charge:    5.3445    magn:   -0.0360    constr:    0.0000
     atom:   18    charge:    5.3445    magn:    0.0360    constr:    0.0000
     atom:   19    charge:    5.3445    magn:    0.0360    constr:    0.0000
     atom:   20    charge:    5.3445    magn:   -0.0360    constr:    0.0000

     total cpu time spent up to now is     2647.4 secs

     End of self-consistent calculation

 ------ SPIN UP ------------


          k = 0.0000 0.0000 0.0000 (  5553 PWs)   bands (ev):

   -57.1706 -57.1699 -54.4199 -54.4190 -28.9746 -28.9513 -28.9221 -28.9189
   -28.8796 -28.8681 -26.4589 -26.3612 -26.3314 -26.3277 -26.2937 -26.2834
   -26.2566 -26.2114 -26.2043 -26.1987  -7.8028  -7.6235  -7.5910  -7.5539
    -7.3786  -6.9627  -6.7082  -6.6952  -6.6131  -6.5470  -6.5424  -6.4436
    -4.9542  -3.8539  -3.5013  -3.3757  -3.2780  -3.1184  -2.9937  -2.7450
    -2.7140  -2.6061  -2.1269  -2.0306   7.3224   7.4846   7.6838   7.7832
     8.4426   8.5241   8.6297   8.7250   8.7940   8.8454   8.8777   9.2203
     9.3206   9.4872   9.6808   9.7778   9.9373   9.9729  10.0286  10.1510
    10.2442  10.6668  10.7290  10.8194  11.0903  11.1861  11.2556  11.4055
    11.4347  11.4845  11.7740  12.0760  12.2902  12.4797  12.4922  12.5966
    13.7924  13.9133  13.9558  14.0989  14.6316  15.1019  16.4598  16.5022
    16.9115  17.0274  17.1962  17.6212  17.8809  18.0597  18.1397  18.7395
    19.0747  19.1603  19.3475  19.4917  19.8734  20.0000  20.6053

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.0000 0.0000 0.1384 (  5579 PWs)   bands (ev):

   -57.1705 -57.1700 -54.4198 -54.4191 -28.9722 -28.9533 -28.9218 -28.9193
   -28.8787 -28.8694 -26.4530 -26.3819 -26.3297 -26.3121 -26.2998 -26.2707
   -26.2585 -26.2164 -26.2047 -26.2007  -7.7294  -7.6225  -7.5707  -7.5645
    -7.4012  -6.9056  -6.8673  -6.6906  -6.6259  -6.5464  -6.5428  -6.4854
    -4.7757  -3.7965  -3.6374  -3.3775  -3.3322  -3.1621  -2.9709  -2.7510
    -2.6349  -2.5408  -2.1636  -2.0852   7.4324   7.5828   7.7287   7.8617
     8.4386   8.5321   8.6240   8.7374   8.7851   8.8351   8.8496   9.1829
     9.3264   9.4536   9.5666   9.6092   9.8368   9.9866  10.1601  10.1851
    10.2544  10.4382  10.6116  10.9421  11.1241  11.1899  11.2256  11.4339
    11.4792  11.7303  11.8097  12.0909  12.2679  12.2974  12.3920  12.4178
    13.9199  13.9341  14.0885  14.1229  14.6662  15.0050  16.4782  16.5095
    17.0038  17.1021  17.2126  17.6682  17.7746  18.0446  18.1500  18.5409
    19.0432  19.2348  19.3540  19.4861  19.5163  19.9915  20.0502

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.0000 0.0000 0.2768 (  5552 PWs)   bands (ev):

   -57.1704 -57.1701 -54.4196 -54.4193 -28.9661 -28.9588 -28.9211 -28.9201
   -28.8761 -28.8726 -26.4362 -26.4112 -26.3248 -26.3170 -26.2813 -26.2658
   -26.2512 -26.2310 -26.2051 -26.2038  -7.6129  -7.5896  -7.5472  -7.4870
    -7.4597  -7.1931  -6.7652  -6.6758  -6.6540  -6.6029  -6.5449  -6.5433
    -4.3882  -3.9718  -3.6487  -3.4717  -3.3473  -3.2613  -2.8961  -2.8029
    -2.4537  -2.3942  -2.2724  -2.2283   7.6595   7.7179   7.8919   8.1177
     8.2249   8.4508   8.6778   8.7057   8.7624   8.7830   8.9657   9.0754
     9.2999   9.3510   9.4922   9.5190   9.5890   9.8446  10.1146  10.2145
    10.3101  10.4141  10.7176  10.9614  10.9812  11.2187  11.3463  11.6163
    11.6187  11.7911  11.7969  11.9282  12.0697  12.1884  12.2785  12.3247
    13.9787  14.0137  14.2805  14.4432  14.5616  14.7697  16.5053  16.5166
    17.2219  17.2540  17.3037  17.5272  17.7698  18.0166  18.1297  18.1452
    19.1503  19.3438  19.4137  19.4335  19.5998  19.8465  20.1587

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.0000 0.2345 0.0000 (  5576 PWs)   bands (ev):

   -57.1706 -57.1699 -54.4199 -54.4190 -28.9745 -28.9513 -28.9224 -28.9189
   -28.8797 -28.8681 -26.4586 -26.3697 -26.3278 -26.3253 -26.2944 -26.2835
   -26.2564 -26.2058 -26.2044 -26.2009  -7.6844  -7.5952  -7.5135  -7.4253
    -7.2852  -7.0921  -6.8788  -6.8647  -6.7404  -6.7282  -6.6677  -6.4748
    -4.4373  -3.5883  -3.4573  -3.2563  -3.1683  -3.1122  -2.9411  -2.8224
    -2.7608  -2.6903  -2.3247  -2.2156   7.5481   7.7060   7.9636   7.9909
     8.4085   8.5299   8.5790   8.7033   8.8072   8.8348   8.9100   8.9637
     9.0830   9.2029   9.3863   9.5471   9.7613   9.7841  10.1832  10.3734
    10.5031  10.6481  10.8370  10.9999  11.0002  11.1710  11.2120  11.2843
    11.3740  11.3792  11.7429  11.8049  12.0268  12.2052  12.3069  12.3482
    13.9897  14.1375  14.2995  14.4410  14.6630  15.0653  16.7729  16.8205
    17.0206  17.0786  17.2181  17.5088  17.7868  18.0038  18.0175  18.7678
    18.8908  19.3584  19.4459  19.5776  19.6024  19.6884  19.8463

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.0000 0.2345 0.1384 (  5566 PWs)   bands (ev):

   -57.1705 -57.1700 -54.4198 -54.4191 -28.9721 -28.9533 -28.9221 -28.9193
   -28.8788 -28.8694 -26.4518 -26.3789 -26.3432 -26.3164 -26.2940 -26.2677
   -26.2575 -26.2107 -26.2046 -26.2021  -7.6209  -7.5864  -7.4899  -7.4520
    -7.3070  -7.0215  -6.9367  -6.8593  -6.7624  -6.7531  -6.6983  -6.5268
    -4.3070  -3.5356  -3.4358  -3.3869  -3.1616  -3.0839  -2.9983  -2.7944
    -2.7422  -2.6600  -2.3624  -2.2617   7.6051   7.8218   7.9888   8.0826
     8.4357   8.4858   8.5622   8.6932   8.7999   8.8448   8.9609   9.0154
     9.0730   9.2832   9.3204   9.5053   9.5556   9.8853  10.0085  10.3245
    10.4144  10.4691  10.8965  10.9242  11.1069  11.1712  11.2298  11.3704
    11.4439  11.5021  11.6731  11.7322  12.0569  12.1303  12.2861  12.2930
    14.0819  14.2043  14.3169  14.4328  14.7082  14.9610  16.8008  16.8798
    17.0919  17.1596  17.2008  17.5552  17.6941  17.9904  18.0195  18.5572
    18.9280  19.3970  19.4366  19.5330  19.6612  19.6816  19.9837

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.0000 0.2345 0.2768 (  5577 PWs)   bands (ev):

   -57.1704 -57.1701 -54.4196 -54.4193 -28.9660 -28.9588 -28.9213 -28.9202
   -28.8762 -28.8726 -26.4327 -26.4055 -26.3407 -26.3294 -26.2768 -26.2648
   -26.2438 -26.2241 -26.2050 -26.2042  -7.5563  -7.5058  -7.4688  -7.4133
    -7.3541  -7.1573  -6.8590  -6.8349  -6.7955  -6.7629  -6.7346  -6.6683
    -4.0026  -3.6623  -3.4153  -3.3527  -3.2538  -3.1458  -2.9676  -2.8480
    -2.6153  -2.5471  -2.4670  -2.3864   7.7695   7.9569   8.0785   8.2802
     8.3605   8.3865   8.6168   8.7354   8.8165   8.8725   8.9436   8.9947
     9.0745   9.1478   9.4255   9.5211   9.5533   9.8121   9.9639  10.0499
    10.1649  10.2345  10.8445  11.0349  11.1025  11.2092  11.3145  11.3336
    11.5504  11.6123  11.6525  11.7925  12.0085  12.1310  12.1427  12.2267
    14.3019  14.3436  14.4015  14.4627  14.6179  14.7233  16.8868  16.9433
    17.2100  17.2778  17.3267  17.4413  17.7050  17.9631  18.0016  18.1313
    19.0987  19.3324  19.5432  19.5773  19.6333  19.7302  19.9476

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k =-0.0000-0.4691 0.0000 (  5600 PWs)   bands (ev):

   -57.1706 -57.1699 -54.4199 -54.4190 -28.9744 -28.9513 -28.9228 -28.9190
   -28.8798 -28.8681 -26.4602 -26.3703 -26.3278 -26.3218 -26.2985 -26.2837
   -26.2578 -26.2044 -26.2037 -26.1981  -7.4575  -7.4349  -7.3945  -7.3913
    -7.1518  -7.1493  -7.1244  -7.0986  -7.0163  -6.9950  -6.5733  -6.5627
    -3.5530  -3.5296  -3.4015  -3.3936  -3.1651  -3.0697  -2.7619  -2.7462
    -2.7384  -2.6754  -2.6580  -2.6448   7.8281   7.8757   8.1975   8.2315
     8.2401   8.5164   8.5537   8.6171   8.7852   8.8188   8.8965   9.1126
     9.1511   9.2896   9.2993   9.4962   9.5759   9.6573   9.9859   9.9865
    10.3354  10.6155  10.6998  10.7099  10.8488  10.8780  11.3603  11.4004
    11.4631  11.6870  11.7175  11.7523  11.7706  11.8875  12.2661  12.3421
    14.1272  14.3101  14.5696  14.6694  14.7274  15.0338  16.8193  17.0422
    17.1080  17.1384  17.5643  17.6331  17.7035  17.8528  17.9066  18.6597
    18.8411  19.1452  19.2997  19.5249  20.0911  20.1141  20.3828

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k =-0.0000-0.4691 0.1384 (  5560 PWs)   bands (ev):

   -57.1705 -57.1700 -54.4198 -54.4191 -28.9720 -28.9533 -28.9224 -28.9194
   -28.8789 -28.8694 -26.4521 -26.3666 -26.3581 -26.3239 -26.2905 -26.2640
   -26.2591 -26.2062 -26.2048 -26.2009  -7.4543  -7.4369  -7.3437  -7.3379
    -7.1486  -7.1418  -7.1223  -7.1033  -7.0274  -7.0094  -6.6434  -6.6348
    -3.4966  -3.4755  -3.3312  -3.3295  -3.1141  -3.0248  -2.8592  -2.8240
    -2.7667  -2.7267  -2.6919  -2.6610   7.8696   7.8725   8.1811   8.2544
     8.4334   8.4526   8.5855   8.7267   8.7514   8.8842   9.0256   9.1116
     9.1558   9.2069   9.3477   9.4408   9.5830   9.6346   9.8928   9.9584
    10.1511  10.4241  10.4649  10.5614  11.0108  11.0146  11.4309  11.4769
    11.5411  11.6173  11.7121  11.7138  11.8260  11.9164  12.2405  12.2946
    14.1878  14.3361  14.5832  14.7119  14.7264  14.9244  16.8817  17.0990
    17.1724  17.2422  17.5812  17.5886  17.7537  17.7565  17.8936  18.5840
    18.7475  19.1607  19.1726  19.6250  19.7953  20.0027  20.1340

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k =-0.0000-0.4691 0.2768 (  5590 PWs)   bands (ev):

   -57.1704 -57.1701 -54.4196 -54.4193 -28.9659 -28.9587 -28.9215 -28.9204
   -28.8762 -28.8726 -26.4293 -26.3960 -26.3564 -26.3412 -26.2747 -26.2642
   -26.2378 -26.2174 -26.2052 -26.2042  -7.4057  -7.3915  -7.3338  -7.3270
    -7.1274  -7.1100  -7.1069  -7.0906  -6.9860  -6.9858  -6.8144  -6.8106
    -3.3474  -3.3289  -3.2291  -3.2278  -3.0029  -2.9916  -2.9491  -2.9215
    -2.8580  -2.8462  -2.7931  -2.7498   7.9469   7.9804   8.1101   8.1125
     8.5689   8.6020   8.7363   8.8441   8.9615   8.9885   9.0212   9.0422
     9.1493   9.2902   9.3653   9.4322   9.6529   9.6769   9.7424   9.7876
     9.9408  10.0970  10.1182  10.1739  11.2533  11.2761  11.4359  11.4501
    11.5695  11.5805  11.6404  11.6478  12.0449  12.0575  12.1733  12.1848
    14.3595  14.4832  14.5828  14.6793  14.6798  14.6960  17.0719  17.2213
    17.2531  17.4166  17.4911  17.6053  17.6415  17.8421  17.8647  18.1655
    18.8733  19.0298  19.2630  19.4833  19.8588  19.9254  20.1085

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.2000 0.0000 0.0000 (  5565 PWs)   bands (ev):

   -57.1706 -57.1699 -54.4199 -54.4190 -28.9745 -28.9513 -28.9226 -28.9189
   -28.8797 -28.8682 -26.4539 -26.3745 -26.3301 -26.3278 -26.3031 -26.2835
   -26.2345 -26.2147 -26.2044 -26.2001  -7.7286  -7.6833  -7.5706  -7.3780
    -7.3232  -7.0724  -6.9944  -6.7994  -6.6414  -6.6315  -6.5929  -6.4543
    -4.5800  -3.6708  -3.4104  -3.3312  -3.2822  -3.1570  -2.8558  -2.7291
    -2.7190  -2.6295  -2.2199  -2.1812   7.4722   7.6473   7.7491   7.7966
     8.2419   8.4162   8.7543   8.7730   8.8264   8.8590   8.9536   9.0908
     9.3145   9.4244   9.5161   9.6141   9.8283   9.8743   9.9013  10.0167
    10.6296  10.7225  10.7490  10.8693  10.9206  11.1196  11.1664  11.4565
    11.5747  11.6244  11.6731  11.8310  11.8405  12.2972  12.3173  12.4004
    13.9866  14.0557  14.0613  14.2805  14.6907  15.1198  16.7344  16.7800
    16.9838  17.0165  17.1638  17.5005  17.8149  17.9681  18.1434  18.8346
    18.9311  19.2339  19.2470  19.6881  19.8745  19.9644  20.0840

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.2000 0.0000 0.1384 (  5568 PWs)   bands (ev):

   -57.1705 -57.1700 -54.4198 -54.4191 -28.9721 -28.9533 -28.9222 -28.9193
   -28.8788 -28.8694 -26.4480 -26.3839 -26.3447 -26.3149 -26.2995 -26.2725
   -26.2403 -26.2188 -26.2030 -26.2008  -7.6812  -7.6438  -7.5750  -7.3877
    -7.3481  -7.0600  -6.9776  -6.8188  -6.7391  -6.6268  -6.5813  -6.4967
    -4.4391  -3.6217  -3.4525  -3.3954  -3.2731  -3.1953  -2.8900  -2.7564
    -2.6611  -2.5654  -2.2554  -2.2118   7.5619   7.7226   7.7693   7.8605
     8.3313   8.3926   8.7132   8.7581   8.8499   8.8593   8.9162   9.1721
     9.3258   9.3737   9.4879   9.5037   9.6638   9.8605   9.9874  10.1659
    10.3846  10.4878  10.6928  10.8425  10.9616  11.2512  11.2799  11.4954
    11.5274  11.6384  11.7112  11.8040  11.9049  12.1828  12.2508  12.3794
    14.0653  14.0892  14.1744  14.2702  14.7269  15.0186  16.7487  16.8089
    17.0756  17.0967  17.1627  17.5150  17.7674  17.9682  18.1329  18.6422
    18.9697  19.2261  19.3006  19.6960  19.8022  19.9082  20.0528

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.2000 0.0000 0.2768 (  5558 PWs)   bands (ev):

   -57.1704 -57.1701 -54.4196 -54.4193 -28.9660 -28.9588 -28.9214 -28.9203
   -28.8762 -28.8726 -26.4317 -26.4080 -26.3408 -26.3286 -26.2749 -26.2570
   -26.2506 -26.2323 -26.2015 -26.2012  -7.6270  -7.5892  -7.4679  -7.3996
    -7.3917  -7.2104  -6.9120  -6.8633  -6.7529  -6.6223  -6.6050  -6.5919
    -4.1146  -3.7524  -3.4887  -3.3413  -3.3373  -3.2579  -2.9036  -2.8291
    -2.5309  -2.4496  -2.3487  -2.2931   7.7109   7.7763   7.9286   8.1171
     8.2093   8.4876   8.5457   8.6485   8.9119   8.9414   8.9732   9.0819
     9.2693   9.3329   9.4755   9.5215   9.5633   9.8806  10.0545  10.0855
    10.2201  10.3708  10.5416  10.6706  10.9487  11.1183  11.4986  11.5249
    11.6361  11.6508  11.7570  11.8868  11.9747  12.0936  12.1074  12.2722
    14.1302  14.1849  14.3459  14.4811  14.6269  14.7804  16.7921  16.8289
    17.1634  17.2558  17.3045  17.4774  17.7501  17.9864  18.0895  18.2166
    19.1285  19.2187  19.4776  19.6533  19.7620  19.8855  19.9890

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.2000 0.2345 0.0000 (  5545 PWs)   bands (ev):

   -57.1706 -57.1699 -54.4199 -54.4190 -28.9744 -28.9513 -28.9229 -28.9189
   -28.8799 -28.8682 -26.4555 -26.3658 -26.3501 -26.3278 -26.2928 -26.2835
   -26.2351 -26.2091 -26.2045 -26.2011  -7.7949  -7.6200  -7.5406  -7.3856
    -7.1606  -7.1381  -7.0768  -7.0611  -6.6451  -6.5896  -6.5404  -6.4912
    -4.3082  -3.5188  -3.5162  -3.3681  -3.2941  -2.9446  -2.8271  -2.7695
    -2.6864  -2.6377  -2.4072  -2.2555   7.6416   7.7852   7.8754   7.9405
     8.1198   8.1845   8.5776   8.6340   8.8651   8.9617   9.0913   9.1038
     9.2332   9.3648   9.4199   9.5165   9.7864   9.8110  10.1136  10.2229
    10.4387  10.5921  10.7721  10.7791  10.8573  11.0019  11.2155  11.3961
    11.4749  11.5179  11.6789  11.7701  11.8499  12.0091  12.3137  12.3339
    13.9038  14.2765  14.2871  14.5287  14.7132  15.0931  16.8064  16.8144
    16.9335  17.2293  17.2983  17.4122  17.7764  17.8879  18.1642  18.7462
    18.9218  19.0931  19.3850  19.7280  19.8025  19.8085  20.0296

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.2000 0.2345 0.1384 (  5565 PWs)   bands (ev):

   -57.1705 -57.1700 -54.4198 -54.4191 -28.9720 -28.9533 -28.9225 -28.9194
   -28.8789 -28.8695 -26.4488 -26.3716 -26.3622 -26.3215 -26.2985 -26.2642
   -26.2419 -26.2115 -26.2031 -26.2022  -7.7747  -7.5897  -7.5383  -7.3678
    -7.1803  -7.1167  -7.0904  -7.0356  -6.7378  -6.5851  -6.5463  -6.5415
    -4.1971  -3.5334  -3.4721  -3.3492  -3.2850  -2.9287  -2.9061  -2.7842
    -2.6922  -2.6418  -2.4225  -2.2798   7.7071   7.8275   7.9066   8.0586
     8.1319   8.2677   8.5789   8.6165   8.8435   9.0104   9.0771   9.1387
     9.1710   9.3405   9.3981   9.4985   9.5938   9.8579   9.9411  10.2860
    10.4470  10.5222  10.6667  10.7688  10.9508  11.0132  11.1111  11.3781
    11.5202  11.5949  11.7449  11.7881  11.8440  11.9909  12.1763  12.2985
    14.0397  14.3148  14.3332  14.5091  14.7515  14.9930  16.8404  16.8896
    16.9960  17.2613  17.3565  17.4132  17.6857  17.9006  18.1449  18.5932
    18.9482  19.1801  19.3671  19.6873  19.7933  19.8717  20.0294

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.2000 0.2345 0.2768 (  5569 PWs)   bands (ev):

   -57.1704 -57.1701 -54.4196 -54.4193 -28.9659 -28.9588 -28.9216 -28.9204
   -28.8763 -28.8727 -26.4299 -26.4024 -26.3520 -26.3367 -26.2789 -26.2582
   -26.2412 -26.2225 -26.2022 -26.2017  -7.7170  -7.6396  -7.4198  -7.3290
    -7.1963  -7.1805  -7.0796  -6.9880  -6.8341  -6.6808  -6.5736  -6.5580
    -3.9421  -3.6798  -3.3498  -3.2856  -3.2308  -3.1111  -2.8841  -2.8618
    -2.6732  -2.6298  -2.4292  -2.3528   7.8520   7.9417   7.9710   8.0953
     8.2877   8.3850   8.5088   8.6247   8.8676   9.0158   9.0240   9.0855
     9.1745   9.2680   9.3913   9.4659   9.5411   9.7660  10.0060  10.0698
    10.2502  10.4323  10.5530  10.8148  10.8671  11.0064  11.2812  11.3633
    11.5721  11.6452  11.7057  11.7716  11.8957  11.9908  12.1333  12.1900
    14.3308  14.3797  14.4607  14.5144  14.6606  14.7624  16.9517  16.9956
    17.1466  17.2613  17.3418  17.4472  17.7162  17.9390  18.0553  18.2287
    19.1004  19.2477  19.4245  19.6512  19.8424  19.8776  19.9307

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.2000-0.4691 0.0000 (  5578 PWs)   bands (ev):

   -57.1706 -57.1699 -54.4199 -54.4190 -28.9743 -28.9513 -28.9233 -28.9190
   -28.8800 -28.8682 -26.4569 -26.3783 -26.3326 -26.3278 -26.3000 -26.2837
   -26.2358 -26.2072 -26.2045 -26.1978  -7.7286  -7.7016  -7.3938  -7.3679
    -7.3655  -7.3613  -6.8522  -6.8398  -6.7386  -6.7273  -6.5879  -6.5782
    -3.6201  -3.5901  -3.5276  -3.5206  -3.2031  -3.1312  -2.7960  -2.7759
    -2.6301  -2.6265  -2.4593  -2.3941   7.7504   7.7738   7.9221   8.0174
     8.1073   8.2040   8.5519   8.6954   8.7880   8.9253   9.2126   9.2577
     9.2702   9.3525   9.3818   9.5788   9.5835   9.9292  10.0835  10.1856
    10.2100  10.2896  10.4041  10.5695  10.8708  10.9415  11.3752  11.4272
    11.4446  11.4816  11.7458  11.8643  11.9240  11.9434  12.1072  12.1783
    14.0673  14.1853  14.5912  14.6571  14.7075  15.0399  16.8287  16.9164
    17.0483  17.1452  17.4997  17.5381  17.8481  17.8759  17.9870  18.5767
    18.7542  19.0208  19.5765  19.6667  19.7079  20.1865  20.2939

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.2000-0.4691 0.1384 (  5584 PWs)   bands (ev):

   -57.1705 -57.1700 -54.4198 -54.4191 -28.9719 -28.9533 -28.9229 -28.9195
   -28.8790 -28.8695 -26.4491 -26.3758 -26.3568 -26.3334 -26.2919 -26.2645
   -26.2416 -26.2073 -26.2032 -26.2012  -7.7072  -7.6809  -7.4518  -7.4299
    -7.2755  -7.2728  -6.8511  -6.8382  -6.7586  -6.7446  -6.6465  -6.6400
    -3.5752  -3.5529  -3.4504  -3.4404  -3.1847  -3.1256  -2.8631  -2.8529
    -2.6450  -2.6315  -2.4894  -2.4298   7.7787   7.8133   8.0722   8.0760
     8.1193   8.2421   8.5404   8.7241   8.8873   8.9925   9.1115   9.1440
     9.2197   9.3642   9.4800   9.5341   9.5537   9.7652   9.9448   9.9857
    10.1155  10.2086  10.7089  10.7965  10.8387  10.9245  11.2940  11.3120
    11.4796  11.5116  11.7295  11.8306  11.9109  11.9267  12.0983  12.1683
    14.1497  14.2413  14.6188  14.6903  14.7194  14.9325  16.9092  16.9757
    17.0964  17.2336  17.4800  17.5584  17.7979  17.8402  17.9644  18.4453
    18.8298  19.0601  19.4376  19.6546  19.8850  20.0892  20.1518

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.2000-0.4691 0.2768 (  5574 PWs)   bands (ev):

   -57.1704 -57.1701 -54.4196 -54.4193 -28.9659 -28.9587 -28.9219 -28.9206
   -28.8763 -28.8727 -26.4271 -26.3954 -26.3632 -26.3493 -26.2745 -26.2571
   -26.2366 -26.2164 -26.2029 -26.2022  -7.6417  -7.6165  -7.5451  -7.5210
    -7.1059  -7.1001  -6.9159  -6.9071  -6.7816  -6.7718  -6.7407  -6.7358
    -3.4448  -3.4205  -3.3505  -3.3255  -3.1491  -3.1322  -3.0168  -3.0030
    -2.6457  -2.6122  -2.5678  -2.5200   7.8834   7.9403   8.0196   8.0808
     8.3787   8.4782   8.5860   8.8128   8.8685   8.9461   9.0267   9.0798
     9.1637   9.2258   9.3765   9.4553   9.6377   9.6707   9.8385   9.8931
    10.1741  10.2608  10.4740  10.5352  10.9623  11.0654  11.2286  11.2570
    11.5071  11.5354  11.7335  11.7550  11.9673  12.0080  12.0677  12.1104
    14.3478  14.4491  14.6340  14.6498  14.6635  14.7219  17.0785  17.1245
    17.2293  17.3807  17.4257  17.4816  17.7602  17.8237  17.9006  18.1440
    19.0306  19.1918  19.3062  19.5889  19.9292  20.0066  20.1673

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.4000 0.0000 0.0000 (  5552 PWs)   bands (ev):

   -57.1706 -57.1699 -54.4199 -54.4190 -28.9741 -28.9514 -28.9233 -28.9190
   -28.8799 -28.8682 -26.4481 -26.3914 -26.3279 -26.3261 -26.2970 -26.2837
   -26.2473 -26.2146 -26.2045 -26.1844  -7.6537  -7.5343  -7.4867  -7.3160
    -7.2905  -7.1613  -7.1327  -7.1091  -6.8725  -6.8192  -6.5505  -6.4882
    -3.8704  -3.4596  -3.4288  -3.3982  -3.1018  -2.9281  -2.8020  -2.7479
    -2.7165  -2.7129  -2.4725  -2.3714   7.4752   7.7726   7.7913   8.0869
     8.3061   8.3991   8.5456   8.6613   8.8104   8.8349   9.0332   9.2357
     9.3659   9.3899   9.5159   9.5691   9.7101   9.7628   9.8155  10.0027
    10.3711  10.4257  10.6102  10.8717  10.8945  11.0346  11.3092  11.3247
    11.3690  11.4179  11.5381  11.6684  11.9257  12.0167  12.1452  12.2235
    14.2174  14.2319  14.2450  14.5279  14.7773  15.1446  16.8416  16.8690
    17.0975  17.0978  17.3522  17.6672  17.8057  17.9633  18.1328  18.8506
    19.0111  19.2514  19.4147  19.5754  19.6602  20.1315  20.2547

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.4000 0.0000 0.1384 (  5551 PWs)   bands (ev):

   -57.1705 -57.1700 -54.4198 -54.4191 -28.9718 -28.9533 -28.9229 -28.9194
   -28.8789 -28.8695 -26.4418 -26.3873 -26.3598 -26.3175 -26.2935 -26.2679
   -26.2474 -26.2199 -26.2034 -26.1865  -7.6282  -7.4918  -7.4777  -7.3305
    -7.2969  -7.1421  -7.1347  -7.1089  -6.8657  -6.8466  -6.6024  -6.5372
    -3.7867  -3.4429  -3.3790  -3.3322  -3.1375  -2.9395  -2.8252  -2.8051
    -2.7881  -2.7149  -2.4531  -2.3710   7.5263   7.6605   7.9589   8.1897
     8.2893   8.4579   8.6065   8.6665   8.7701   8.9330   9.0172   9.1365
     9.3525   9.4307   9.5048   9.5956   9.7101   9.7642   9.8232   9.8665
    10.1273  10.3867  10.5765  10.7550  10.8550  11.0193  11.2843  11.3139
    11.3674  11.5053  11.6972  11.7840  11.8476  12.0010  12.1177  12.2545
    14.2521  14.2684  14.3087  14.5001  14.8070  15.0427  16.8587  16.9059
    17.1235  17.2723  17.3400  17.7103  17.7410  17.9655  18.0988  18.8077
    18.9199  19.3136  19.3899  19.5446  19.6317  19.9157  19.9998

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.4000 0.0000 0.2768 (  5562 PWs)   bands (ev):

   -57.1704 -57.1701 -54.4196 -54.4193 -28.9658 -28.9588 -28.9218 -28.9205
   -28.8763 -28.8727 -26.4239 -26.3983 -26.3655 -26.3437 -26.2650 -26.2522
   -26.2506 -26.2347 -26.1990 -26.1921  -7.5615  -7.4921  -7.3996  -7.3455
    -7.2889  -7.2169  -7.1222  -7.0687  -6.8588  -6.8377  -6.6914  -6.6554
    -3.5845  -3.4040  -3.2796  -3.2741  -3.1697  -3.0487  -2.9319  -2.9195
    -2.7672  -2.7213  -2.4279  -2.3925   7.6493   7.7752   7.8306   8.0313
     8.5626   8.6028   8.7285   8.7703   8.8720   8.9625   9.0846   9.1767
     9.2333   9.4063   9.4398   9.5359   9.6052   9.7183   9.8051   9.9070
     9.9743  10.1165  10.3358  10.3852  10.8754  10.9611  11.3249  11.3814
    11.5078  11.5597  11.8660  11.8863  11.9387  11.9795  12.0824  12.1751
    14.2937  14.3413  14.4510  14.5905  14.7077  14.8194  16.8932  16.9249
    17.2842  17.4338  17.5203  17.5810  17.7847  17.9870  18.0399  18.3245
    19.2062  19.3467  19.4007  19.5389  19.5546  19.7478  19.8543

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.4000 0.2345 0.0000 (  5556 PWs)   bands (ev):

   -57.1706 -57.1699 -54.4199 -54.4190 -28.9741 -28.9514 -28.9237 -28.9190
   -28.8801 -28.8682 -26.4499 -26.3951 -26.3279 -26.3265 -26.2954 -26.2837
   -26.2479 -26.2075 -26.2045 -26.1850  -7.8734  -7.7235  -7.5150  -7.4573
    -7.3489  -7.2715  -6.9051  -6.8029  -6.6399  -6.5912  -6.5741  -6.5342
    -3.8590  -3.5942  -3.5597  -3.4109  -3.3355  -3.1040  -2.7582  -2.6180
    -2.5761  -2.5648  -2.3979  -2.3155   7.5486   7.6883   7.7912   7.7957
     8.0565   8.1855   8.6156   8.7331   8.9419   8.9737   9.1044   9.2021
     9.2274   9.3826   9.4955   9.5822   9.8306   9.8531  10.1452  10.2630
    10.2755  10.4311  10.5479  10.7536  10.7879  10.9621  11.0153  11.2809
    11.3056  11.4658  11.6777  11.6778  11.9686  12.0003  12.0549  12.2420
    14.0332  14.1991  14.3803  14.6306  14.7689  15.0975  16.8133  16.9400
    16.9697  17.0029  17.4483  17.5431  17.8333  17.9345  18.1874  18.6406
    18.8899  19.1303  19.4043  19.7962  19.9401  19.9696  20.1233

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.4000 0.2345 0.1384 (  5554 PWs)   bands (ev):

   -57.1705 -57.1699 -54.4198 -54.4191 -28.9717 -28.9534 -28.9232 -28.9195
   -28.8791 -28.8695 -26.4431 -26.3893 -26.3616 -26.3202 -26.2951 -26.2627
   -26.2485 -26.2128 -26.2029 -26.1873  -7.8478  -7.7067  -7.5506  -7.4381
    -7.3435  -7.2255  -6.8956  -6.8151  -6.6837  -6.6220  -6.5905  -6.5685
    -3.8075  -3.5419  -3.5123  -3.4036  -3.2699  -3.0944  -2.8156  -2.7485
    -2.6141  -2.5673  -2.3744  -2.3126   7.5654   7.6756   7.8660   8.0237
     8.0939   8.1977   8.6180   8.7510   8.9116   8.9586   9.1083   9.1664
     9.2490   9.4019   9.4615   9.5784   9.6537   9.8859   9.9539  10.0340
    10.1858  10.5116  10.5963  10.7852  10.9140  10.9381  11.1185  11.1668
    11.3558  11.5091  11.6087  11.7936  11.8422  11.9810  12.0531  12.1860
    14.1383  14.2616  14.4215  14.6171  14.8099  14.9936  16.8814  16.9953
    17.0141  17.0731  17.3969  17.6108  17.8097  17.8944  18.1484  18.5341
    18.9775  19.1831  19.3837  19.7269  19.8477  19.9230  20.0924

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.4000 0.2345 0.2768 (  5560 PWs)   bands (ev):

   -57.1703 -57.1701 -54.4196 -54.4193 -28.9658 -28.9588 -28.9221 -28.9207
   -28.8764 -28.8728 -26.4239 -26.3953 -26.3729 -26.3485 -26.2705 -26.2552
   -26.2405 -26.2241 -26.1995 -26.1932  -7.7768  -7.6954  -7.5881  -7.5102
    -7.2147  -7.1463  -6.8913  -6.8521  -6.7876  -6.7032  -6.6117  -6.5904
    -3.6779  -3.5556  -3.3477  -3.3132  -3.2122  -3.0547  -3.0040  -2.8971
    -2.6522  -2.6218  -2.3499  -2.3251   7.6878   7.7820   7.8570   7.9734
     8.3511   8.5379   8.6047   8.7878   8.8352   8.9611   9.0547   9.0716
     9.2105   9.2946   9.4174   9.4665   9.6140   9.7427   9.8900  10.0815
    10.1797  10.2542  10.5522  10.6454  10.8295  10.8943  11.2799  11.3116
    11.4875  11.5713  11.6259  11.6596  11.7967  11.9523  12.0720  12.1460
    14.3771  14.4206  14.4719  14.6209  14.7327  14.7717  16.9824  17.0407
    17.1938  17.2260  17.3555  17.5615  17.8753  17.9100  18.0249  18.2346
    19.2049  19.2996  19.3886  19.6228  19.6755  19.8216  20.0840

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.4000-0.4691 0.0000 (  5564 PWs)   bands (ev):

   -57.1706 -57.1699 -54.4199 -54.4190 -28.9740 -28.9514 -28.9241 -28.9191
   -28.8803 -28.8683 -26.4523 -26.4009 -26.3279 -26.3119 -26.3019 -26.2838
   -26.2555 -26.2045 -26.1973 -26.1860  -7.9575  -7.9282  -7.5709  -7.5421
    -7.3149  -7.3091  -6.6147  -6.6065  -6.5959  -6.5838  -6.5252  -6.5192
    -3.6848  -3.6767  -3.6249  -3.5914  -3.4346  -3.3742  -2.6631  -2.6198
    -2.4929  -2.4919  -2.2945  -2.2198   7.4937   7.5624   7.6385   7.7860
     8.0471   8.1415   8.5300   8.8130   8.9469   8.9852   9.0095   9.1132
     9.5085   9.5354   9.5471   9.6885   9.7624  10.0338  10.0338  10.1381
    10.4299  10.4894  10.5015  10.5143  10.5486  10.8654  11.0127  11.0458
    11.5266  11.5418  11.8387  11.8654  12.0040  12.0338  12.0394  12.0755
    13.9297  13.9940  14.5550  14.6802  14.6931  15.0590  16.6344  16.8451
    16.9540  17.0447  17.3970  17.6110  17.8439  18.0421  18.1667  18.4483
    18.9377  19.1153  19.5102  19.5344  20.0856  20.1906  20.2253

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.4000-0.4691 0.1384 (  5554 PWs)   bands (ev):

   -57.1705 -57.1699 -54.4198 -54.4191 -28.9717 -28.9534 -28.9236 -28.9197
   -28.8793 -28.8696 -26.4448 -26.3956 -26.3551 -26.3288 -26.2852 -26.2647
   -26.2536 -26.2043 -26.2017 -26.1883  -7.9288  -7.8997  -7.6181  -7.5894
    -7.2504  -7.2444  -6.6893  -6.6813  -6.5869  -6.5758  -6.5313  -6.5250
    -3.6823  -3.6761  -3.5249  -3.4921  -3.3975  -3.3609  -2.7795  -2.7488
    -2.4613  -2.4413  -2.3231  -2.2525   7.5924   7.6685   7.7377   7.8397
     8.0457   8.1464   8.5366   8.8283   8.9558   8.9794   9.0708   9.0870
     9.4193   9.4866   9.5426   9.5466   9.6475   9.8602   9.8768  10.0528
    10.3228  10.4941  10.5621  10.7380  10.8529  10.8998  11.0066  11.0403
    11.5669  11.6279  11.7079  11.7387  11.8771  11.9308  12.0344  12.0868
    14.0301  14.1316  14.6113  14.6866  14.6990  14.9715  16.7151  16.9336
    16.9793  17.0999  17.3579  17.6473  17.8420  17.9596  18.1245  18.3691
    19.0394  19.1604  19.4971  19.5765  20.0859  20.1738  20.2017

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.4000-0.4691 0.2768 (  5530 PWs)   bands (ev):

   -57.1703 -57.1701 -54.4196 -54.4193 -28.9658 -28.9587 -28.9224 -28.9209
   -28.8765 -28.8728 -26.4235 -26.3927 -26.3786 -26.3560 -26.2673 -26.2582
   -26.2354 -26.2148 -26.2011 -26.1944  -7.8462  -7.8174  -7.7284  -7.6998
    -7.0827  -7.0758  -6.8697  -6.8620  -6.5707  -6.5613  -6.5487  -6.5413
    -3.5974  -3.5768  -3.5093  -3.4666  -3.2321  -3.2049  -3.0009  -2.9726
    -2.4327  -2.3954  -2.3808  -2.3257   7.7833   7.8382   7.9062   7.9786
     8.1299   8.2571   8.4940   8.6826   8.8044   8.8858   8.9936   9.0642
     9.2752   9.3626   9.4304   9.4969   9.7469   9.8254   9.9645  10.0856
    10.2420  10.4058  10.5353  10.6317  10.8700  10.9412  11.0861  11.1438
    11.4436  11.5264  11.6750  11.6944  11.8870  11.9508  12.0080  12.0527
    14.2678  14.4213  14.5565  14.6087  14.7198  14.8095  16.9047  17.0101
    17.1111  17.1923  17.3526  17.5647  17.8597  17.9490  17.9789  18.1628
    19.2558  19.3745  19.4115  19.6158  20.1076  20.1215  20.2071

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k =-0.2000 0.2345 0.0000 (  5545 PWs)   bands (ev):

   -57.1706 -57.1699 -54.4199 -54.4190 -28.9743 -28.9513 -28.9229 -28.9190
   -28.8798 -28.8681 -26.4531 -26.3852 -26.3278 -26.3230 -26.3021 -26.2836
   -26.2360 -26.2071 -26.2044 -26.2032  -7.7781  -7.6203  -7.5256  -7.3936
    -7.1806  -7.1374  -7.0927  -7.0747  -6.6476  -6.5819  -6.5320  -6.4890
    -4.2793  -3.5197  -3.4816  -3.3637  -3.2728  -3.0130  -2.8700  -2.7686
    -2.7021  -2.6398  -2.4143  -2.2000   7.6286   7.7044   7.9016   7.9944
     8.1067   8.2692   8.5891   8.7162   8.7520   8.7891   9.0508   9.0971
     9.3315   9.4720   9.4937   9.6085   9.6431   9.9177  10.1244  10.1472
    10.3551  10.5671  10.7295  10.7404  10.8598  11.0248  11.2128  11.4338
    11.4537  11.4748  11.7527  11.7720  11.8665  12.0737  12.2874  12.3225
    13.9352  14.1729  14.4397  14.5139  14.6615  15.0599  16.5149  16.9069
    17.0231  17.2154  17.2824  17.6825  17.7256  18.0172  18.0172  18.7972
    18.8130  19.1449  19.4544  19.6121  19.6142  19.9847  20.1177

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k =-0.2000 0.2345-0.1384 (  5565 PWs)   bands (ev):

   -57.1705 -57.1700 -54.4198 -54.4191 -28.9720 -28.9533 -28.9226 -28.9194
   -28.8789 -28.8694 -26.4466 -26.3877 -26.3447 -26.3292 -26.2867 -26.2717
   -26.2413 -26.2118 -26.2032 -26.2027  -7.7577  -7.5814  -7.5315  -7.3776
    -7.1967  -7.1218  -7.1084  -7.0437  -6.7386  -6.5773  -6.5439  -6.5348
    -4.1660  -3.4898  -3.4640  -3.3568  -3.2710  -2.9848  -2.9519  -2.8190
    -2.6876  -2.6461  -2.4204  -2.2260   7.7168   7.7585   7.8380   8.1285
     8.2007   8.2943   8.5863   8.7639   8.8021   8.8119   9.0130   9.0554
     9.2878   9.4248   9.4414   9.5327   9.6972   9.7850   9.9459  10.2716
    10.3049  10.5893  10.6064  10.6567  10.9301  11.0598  11.1379  11.4306
    11.4713  11.5980  11.7559  11.8185  11.8651  12.0403  12.1724  12.3054
    14.0641  14.2175  14.4502  14.5074  14.7205  14.9482  16.5736  16.9137
    17.0700  17.2391  17.3831  17.6593  17.7296  17.9732  18.0134  18.6077
    18.8739  19.2148  19.4564  19.5438  19.6882  19.9993  20.0486

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k =-0.2000 0.2345-0.2768 (  5569 PWs)   bands (ev):

   -57.1704 -57.1701 -54.4196 -54.4193 -28.9659 -28.9588 -28.9217 -28.9205
   -28.8762 -28.8726 -26.4285 -26.4043 -26.3509 -26.3416 -26.2699 -26.2544
   -26.2469 -26.2256 -26.2020 -26.2016  -7.6995  -7.6214  -7.4275  -7.3409
    -7.2052  -7.1911  -7.0961  -6.9926  -6.8342  -6.6807  -6.5657  -6.5501
    -3.9034  -3.6282  -3.3520  -3.2930  -3.2231  -3.1286  -2.9469  -2.9152
    -2.6865  -2.6482  -2.3939  -2.3026   7.8386   7.8604   7.9360   8.1199
     8.3110   8.4104   8.6112   8.7148   8.8664   8.9247   9.0372   9.1268
     9.1799   9.3012   9.3791   9.4545   9.5124   9.7563   9.9611  10.1186
    10.2083  10.3333  10.5131  10.8000  10.8339  11.0157  11.2900  11.4720
    11.5011  11.6011  11.7294  11.8126  11.9259  12.0176  12.1604  12.2343
    14.3407  14.3824  14.4622  14.5229  14.6584  14.6900  16.7117  16.8500
    17.2180  17.3824  17.4781  17.6301  17.7231  17.9509  17.9873  18.1911
    19.0997  19.3148  19.4114  19.5585  19.7032  19.8773  20.0573

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k =-0.4000 0.2345 0.0000 (  5556 PWs)   bands (ev):

   -57.1706 -57.1699 -54.4199 -54.4190 -28.9741 -28.9514 -28.9237 -28.9191
   -28.8801 -28.8682 -26.4477 -26.4017 -26.3278 -26.3137 -26.3027 -26.2838
   -26.2494 -26.2063 -26.2045 -26.1858  -7.8565  -7.7377  -7.4970  -7.4577
    -7.3687  -7.2709  -6.9177  -6.8124  -6.6335  -6.5941  -6.5646  -6.5315
    -3.8267  -3.5992  -3.5544  -3.3568  -3.3366  -3.1879  -2.7643  -2.6135
    -2.5810  -2.5810  -2.4377  -2.2501   7.5612   7.6528   7.7705   7.7764
     8.0226   8.3518   8.6926   8.7659   8.7832   8.9244   9.1443   9.1748
     9.2565   9.3979   9.5088   9.6587   9.6739   9.7909  10.1788  10.2158
    10.2477  10.5106  10.5763  10.7919  10.9307  10.9796  10.9939  11.2236
    11.2616  11.4400  11.6463  11.6547  11.9141  12.0948  12.1090  12.1831
    13.9806  14.2155  14.5267  14.6175  14.7000  15.0775  16.6085  17.0278
    17.0506  17.1295  17.2563  17.5708  17.9450  17.9788  18.1158  18.6507
    18.9038  19.1383  19.5243  19.6137  19.8355  20.0790  20.1368

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k =-0.4000 0.2345-0.1384 (  5554 PWs)   bands (ev):

   -57.1705 -57.1699 -54.4198 -54.4191 -28.9717 -28.9533 -28.9233 -28.9195
   -28.8791 -28.8695 -26.4410 -26.3974 -26.3534 -26.3266 -26.2829 -26.2717
   -26.2477 -26.2122 -26.2028 -26.1879  -7.8306  -7.7193  -7.5340  -7.4528
    -7.3484  -7.2261  -6.9073  -6.8261  -6.6815  -6.6168  -6.5899  -6.5597
    -3.7781  -3.5337  -3.5094  -3.3465  -3.2831  -3.1710  -2.8345  -2.7438
    -2.6191  -2.5955  -2.3862  -2.2564   7.5958   7.6137   7.8614   7.9970
     8.0453   8.3570   8.6680   8.7747   8.8476   8.9845   9.0221   9.1513
     9.2711   9.3910   9.5246   9.6059   9.6558   9.7815   9.8996  10.0076
    10.2249  10.5172  10.5705  10.8144  10.9550  11.0150  11.1124  11.2121
    11.2973  11.5065  11.5344  11.8009  11.8478  12.0306  12.0439  12.1627
    14.0939  14.2757  14.5458  14.6101  14.7478  14.9724  16.6652  17.0216
    17.1012  17.2428  17.2769  17.6121  17.8850  17.9729  18.0689  18.5248
    18.9834  19.1908  19.5129  19.5410  19.7920  20.0149  20.0649

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k =-0.4000 0.2345-0.2768 (  5560 PWs)   bands (ev):

   -57.1703 -57.1701 -54.4196 -54.4193 -28.9658 -28.9587 -28.9222 -28.9207
   -28.8764 -28.8727 -26.4225 -26.3985 -26.3700 -26.3516 -26.2619 -26.2588
   -26.2417 -26.2256 -26.1995 -26.1933  -7.7591  -7.6881  -7.5934  -7.5287
    -7.2138  -7.1474  -6.9015  -6.8616  -6.7886  -6.7048  -6.6038  -6.5819
    -3.6489  -3.5271  -3.3247  -3.2989  -3.2206  -3.1019  -3.0138  -2.9453
    -2.6640  -2.6417  -2.3337  -2.2864   7.6827   7.7587   7.8485   7.9659
     8.3823   8.5165   8.6691   8.7836   8.8693   8.9891   9.0616   9.1043
     9.1877   9.2746   9.3797   9.5045   9.6320   9.6774   9.8795   9.9460
    10.2004  10.2478  10.5916  10.6671  10.8530  10.8942  11.2822  11.3170
    11.4449  11.5331  11.6314  11.7254  11.8400  11.9452  12.0682  12.1401
    14.3498  14.4460  14.5390  14.6198  14.6693  14.7611  16.7939  16.9306
    17.2780  17.3796  17.5080  17.5645  17.8279  17.9606  17.9782  18.1861
    19.2067  19.3130  19.4247  19.5024  19.7564  19.8295  20.0900

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

 ------ SPIN DOWN ----------


          k = 0.0000 0.0000 0.0000 (  5553 PWs)   bands (ev):

   -57.1705 -57.1698 -54.4199 -54.4190 -28.9745 -28.9512 -28.9220 -28.9188
   -28.8794 -28.8680 -26.4590 -26.3612 -26.3314 -26.3277 -26.2937 -26.2834
   -26.2566 -26.2114 -26.2044 -26.1988  -7.8028  -7.6235  -7.5910  -7.5539
    -7.3786  -6.9627  -6.7082  -6.6952  -6.6130  -6.5470  -6.5424  -6.4436
    -4.9543  -3.8540  -3.5012  -3.3757  -3.2781  -3.1184  -2.9938  -2.7451
    -2.7140  -2.6062  -2.1270  -2.0307   7.3224   7.4847   7.6838   7.7832
     8.4426   8.5242   8.6296   8.7251   8.7940   8.8454   8.8778   9.2203
     9.3206   9.4872   9.6808   9.7778   9.9373   9.9728  10.0285  10.1509
    10.2441  10.6667  10.7291  10.8192  11.0903  11.1860  11.2557  11.4054
    11.4346  11.4845  11.7739  12.0759  12.2902  12.4796  12.4922  12.5965
    13.7925  13.9133  13.9559  14.0990  14.6318  15.1021  16.4598  16.5023
    16.9117  17.0273  17.1962  17.6212  17.8808  18.0597  18.1397  18.7396
    19.0743  19.1603  19.3456  19.4917  19.8734  20.0001  20.6057

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.0000 0.0000 0.1384 (  5579 PWs)   bands (ev):

   -57.1704 -57.1698 -54.4199 -54.4191 -28.9721 -28.9532 -28.9217 -28.9191
   -28.8785 -28.8693 -26.4530 -26.3819 -26.3298 -26.3121 -26.2998 -26.2707
   -26.2586 -26.2164 -26.2048 -26.2007  -7.7294  -7.6225  -7.5707  -7.5645
    -7.4012  -6.9056  -6.8673  -6.6906  -6.6259  -6.5463  -6.5428  -6.4853
    -4.7758  -3.7965  -3.6374  -3.3775  -3.3323  -3.1621  -2.9709  -2.7510
    -2.6349  -2.5409  -2.1636  -2.0852   7.4324   7.5829   7.7287   7.8617
     8.4386   8.5322   8.6240   8.7375   8.7851   8.8351   8.8495   9.1830
     9.3263   9.4537   9.5666   9.6091   9.8368   9.9866  10.1601  10.1850
    10.2544  10.4380  10.6115  10.9421  11.1241  11.1898  11.2255  11.4339
    11.4790  11.7303  11.8097  12.0908  12.2678  12.2973  12.3920  12.4177
    13.9200  13.9342  14.0886  14.1229  14.6664  15.0052  16.4782  16.5095
    17.0039  17.1021  17.2125  17.6682  17.7744  18.0447  18.1500  18.5411
    19.0431  19.2346  19.3537  19.4861  19.5164  19.9902  20.0513

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.0000 0.0000 0.2768 (  5552 PWs)   bands (ev):

   -57.1702 -57.1700 -54.4196 -54.4194 -28.9659 -28.9587 -28.9210 -28.9200
   -28.8759 -28.8724 -26.4363 -26.4112 -26.3248 -26.3170 -26.2814 -26.2659
   -26.2512 -26.2310 -26.2052 -26.2039  -7.6129  -7.5896  -7.5472  -7.4870
    -7.4597  -7.1931  -6.7652  -6.6758  -6.6540  -6.6028  -6.5448  -6.5433
    -4.3882  -3.9718  -3.6488  -3.4717  -3.3473  -3.2613  -2.8961  -2.8029
    -2.4536  -2.3943  -2.2723  -2.2284   7.6595   7.7178   7.8919   8.1178
     8.2249   8.4508   8.6778   8.7058   8.7624   8.7829   8.9657   9.0756
     9.2997   9.3510   9.4921   9.5189   9.5890   9.8445  10.1146  10.2146
    10.3099  10.4139  10.7176  10.9614  10.9811  11.2186  11.3462  11.6162
    11.6186  11.7910  11.7969  11.9281  12.0697  12.1884  12.2784  12.3247
    13.9787  14.0138  14.2807  14.4433  14.5617  14.7698  16.5053  16.5166
    17.2219  17.2540  17.3035  17.5273  17.7699  18.0166  18.1297  18.1454
    19.1504  19.3438  19.4136  19.4336  19.5997  19.8466  20.1573

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.0000 0.2345 0.0000 (  5576 PWs)   bands (ev):

   -57.1705 -57.1698 -54.4199 -54.4190 -28.9744 -28.9511 -28.9223 -28.9188
   -28.8795 -28.8680 -26.4586 -26.3697 -26.3278 -26.3253 -26.2944 -26.2836
   -26.2565 -26.2059 -26.2045 -26.2009  -7.6844  -7.5952  -7.5135  -7.4253
    -7.2852  -7.0921  -6.8787  -6.8647  -6.7404  -6.7282  -6.6676  -6.4748
    -4.4373  -3.5883  -3.4573  -3.2562  -3.1684  -3.1123  -2.9412  -2.8224
    -2.7610  -2.6903  -2.3247  -2.2157   7.5481   7.7063   7.9634   7.9909
     8.4085   8.5300   8.5790   8.7033   8.8072   8.8348   8.9100   8.9636
     9.0830   9.2028   9.3863   9.5471   9.7613   9.7841  10.1832  10.3733
    10.5030  10.6481  10.8369  10.9999  11.0002  11.1710  11.2120  11.2842
    11.3740  11.3792  11.7428  11.8048  12.0268  12.2052  12.3068  12.3482
    13.9898  14.1375  14.2996  14.4410  14.6631  15.0655  16.7729  16.8205
    17.0205  17.0787  17.2180  17.5089  17.7868  18.0039  18.0176  18.7681
    18.8908  19.3588  19.4460  19.5793  19.6020  19.6903  20.0685

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.0000 0.2345 0.1384 (  5566 PWs)   bands (ev):

   -57.1704 -57.1698 -54.4199 -54.4191 -28.9720 -28.9531 -28.9220 -28.9192
   -28.8786 -28.8693 -26.4518 -26.3790 -26.3432 -26.3165 -26.2940 -26.2677
   -26.2575 -26.2107 -26.2046 -26.2021  -7.6209  -7.5864  -7.4899  -7.4520
    -7.3070  -7.0215  -6.9366  -6.8592  -6.7624  -6.7531  -6.6983  -6.5268
    -4.3070  -3.5356  -3.4359  -3.3868  -3.1617  -3.0839  -2.9983  -2.7943
    -2.7423  -2.6600  -2.3624  -2.2618   7.6051   7.8220   7.9887   8.0826
     8.4357   8.4857   8.5622   8.6932   8.7999   8.8447   8.9609   9.0155
     9.0730   9.2832   9.3204   9.5052   9.5556   9.8854  10.0084  10.3245
    10.4143  10.4690  10.8965  10.9242  11.1070  11.1710  11.2297  11.3704
    11.4439  11.5020  11.6730  11.7321  12.0569  12.1303  12.2861  12.2929
    14.0821  14.2044  14.3170  14.4329  14.7083  14.9612  16.8008  16.8798
    17.0919  17.1597  17.2008  17.5552  17.6943  17.9903  18.0195  18.5574
    18.9279  19.3970  19.4373  19.5331  19.6617  19.6821  20.0754

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.0000 0.2345 0.2768 (  5577 PWs)   bands (ev):

   -57.1702 -57.1700 -54.4196 -54.4194 -28.9659 -28.9586 -28.9212 -28.9201
   -28.8760 -28.8725 -26.4327 -26.4055 -26.3407 -26.3294 -26.2769 -26.2648
   -26.2438 -26.2241 -26.2051 -26.2042  -7.5563  -7.5058  -7.4688  -7.4133
    -7.3540  -7.1573  -6.8589  -6.8349  -6.7955  -6.7629  -6.7346  -6.6683
    -4.0026  -3.6623  -3.4153  -3.3527  -3.2538  -3.1459  -2.9677  -2.8480
    -2.6153  -2.5472  -2.4670  -2.3865   7.7695   7.9569   8.0786   8.2802
     8.3605   8.3865   8.6169   8.7354   8.8165   8.8725   8.9435   8.9947
     9.0744   9.1478   9.4254   9.5210   9.5533   9.8121   9.9638  10.0498
    10.1648  10.2344  10.8445  11.0348  11.1024  11.2092  11.3144  11.3335
    11.5503  11.6122  11.6525  11.7925  12.0084  12.1310  12.1425  12.2266
    14.3020  14.3437  14.4016  14.4628  14.6181  14.7235  16.8868  16.9433
    17.2100  17.2777  17.3267  17.4413  17.7051  17.9631  18.0016  18.1315
    19.0982  19.3324  19.5422  19.5778  19.6334  19.7307  19.9445

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k =-0.0000-0.4691 0.0000 (  5600 PWs)   bands (ev):

   -57.1705 -57.1698 -54.4200 -54.4190 -28.9743 -28.9511 -28.9226 -28.9188
   -28.8797 -28.8680 -26.4602 -26.3703 -26.3279 -26.3218 -26.2985 -26.2837
   -26.2578 -26.2045 -26.2037 -26.1981  -7.4575  -7.4349  -7.3945  -7.3913
    -7.1518  -7.1492  -7.1243  -7.0987  -7.0163  -6.9950  -6.5734  -6.5626
    -3.5529  -3.5297  -3.4016  -3.3936  -3.1648  -3.0701  -2.7615  -2.7461
    -2.7385  -2.6755  -2.6580  -2.6452   7.8284   7.8758   8.1974   8.2316
     8.2398   8.5164   8.5536   8.6171   8.7852   8.8187   8.8965   9.1125
     9.1511   9.2896   9.2992   9.4962   9.5759   9.6573   9.9858   9.9865
    10.3354  10.6154  10.6999  10.7098  10.8486  10.8781  11.3602  11.4002
    11.4631  11.6870  11.7175  11.7523  11.7704  11.8876  12.2661  12.3420
    14.1273  14.3102  14.5697  14.6696  14.7275  15.0339  16.8192  17.0421
    17.1081  17.1385  17.5643  17.6330  17.7036  17.8527  17.9067  18.6597
    18.8413  19.1457  19.3000  19.5250  20.0911  20.1140  20.3827

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k =-0.0000-0.4691 0.1384 (  5560 PWs)   bands (ev):

   -57.1704 -57.1698 -54.4199 -54.4191 -28.9719 -28.9531 -28.9223 -28.9192
   -28.8787 -28.8693 -26.4521 -26.3666 -26.3581 -26.3239 -26.2905 -26.2640
   -26.2591 -26.2062 -26.2049 -26.2009  -7.4543  -7.4369  -7.3437  -7.3379
    -7.1486  -7.1418  -7.1223  -7.1033  -7.0273  -7.0094  -6.6435  -6.6348
    -3.4965  -3.4756  -3.3313  -3.3294  -3.1138  -3.0251  -2.8590  -2.8242
    -2.7665  -2.7269  -2.6919  -2.6613   7.8698   7.8725   8.1811   8.2544
     8.4333   8.4526   8.5856   8.7267   8.7513   8.8841   9.0256   9.1116
     9.1558   9.2069   9.3476   9.4408   9.5830   9.6347   9.8928   9.9584
    10.1511  10.4240  10.4650  10.5612  11.0108  11.0146  11.4307  11.4769
    11.5410  11.6173  11.7122  11.7136  11.8260  11.9164  12.2405  12.2945
    14.1879  14.3361  14.5833  14.7120  14.7266  14.9245  16.8816  17.0990
    17.1723  17.2424  17.5811  17.5885  17.7537  17.7564  17.8937  18.5842
    18.7473  19.1607  19.1728  19.6242  19.7951  20.0017  20.1242

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k =-0.0000-0.4691 0.2768 (  5590 PWs)   bands (ev):

   -57.1702 -57.1700 -54.4196 -54.4194 -28.9658 -28.9586 -28.9214 -28.9203
   -28.8761 -28.8725 -26.4294 -26.3960 -26.3564 -26.3412 -26.2747 -26.2642
   -26.2378 -26.2174 -26.2053 -26.2042  -7.4057  -7.3915  -7.3338  -7.3270
    -7.1273  -7.1099  -7.1070  -7.0906  -6.9860  -6.9858  -6.8144  -6.8106
    -3.3473  -3.3291  -3.2292  -3.2278  -3.0027  -2.9914  -2.9492  -2.9218
    -2.8580  -2.8462  -2.7930  -2.7501   7.9469   7.9805   8.1100   8.1126
     8.5690   8.6022   8.7363   8.8441   8.9615   8.9885   9.0211   9.0422
     9.1493   9.2901   9.3652   9.4322   9.6530   9.6768   9.7423   9.7877
     9.9407  10.0969  10.1181  10.1737  11.2534  11.2761  11.4357  11.4501
    11.5695  11.5804  11.6403  11.6478  12.0450  12.0574  12.1734  12.1847
    14.3597  14.4833  14.5829  14.6794  14.6799  14.6962  17.0718  17.2212
    17.2530  17.4165  17.4911  17.6052  17.6418  17.8421  17.8648  18.1657
    18.8734  19.0301  19.2630  19.4832  19.8602  19.9257  20.1153

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.2000 0.0000 0.0000 (  5565 PWs)   bands (ev):

   -57.1705 -57.1697 -54.4199 -54.4190 -28.9743 -28.9512 -28.9224 -28.9188
   -28.8796 -28.8680 -26.4539 -26.3745 -26.3301 -26.3278 -26.3031 -26.2835
   -26.2345 -26.2147 -26.2045 -26.2001  -7.7286  -7.6833  -7.5706  -7.3780
    -7.3232  -7.0724  -6.9944  -6.7994  -6.6414  -6.6315  -6.5928  -6.4543
    -4.5800  -3.6708  -3.4105  -3.3311  -3.2822  -3.1571  -2.8559  -2.7292
    -2.7190  -2.6297  -2.2199  -2.1813   7.4723   7.6473   7.7491   7.7965
     8.2419   8.4162   8.7542   8.7731   8.8263   8.8590   8.9536   9.0907
     9.3145   9.4244   9.5162   9.6141   9.8283   9.8743   9.9012  10.0166
    10.6295  10.7225  10.7489  10.8693  10.9205  11.1197  11.1662  11.4565
    11.5746  11.6244  11.6730  11.8310  11.8405  12.2972  12.3172  12.4003
    13.9867  14.0558  14.0614  14.2806  14.6909  15.1200  16.7344  16.7800
    16.9839  17.0165  17.1638  17.5004  17.8149  17.9682  18.1434  18.8348
    18.9312  19.2340  19.2470  19.6883  19.8710  19.9609  20.0795

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.2000 0.0000 0.1384 (  5568 PWs)   bands (ev):

   -57.1704 -57.1698 -54.4199 -54.4191 -28.9719 -28.9532 -28.9221 -28.9192
   -28.8786 -28.8693 -26.4481 -26.3839 -26.3447 -26.3149 -26.2995 -26.2725
   -26.2403 -26.2188 -26.2031 -26.2009  -7.6812  -7.6438  -7.5750  -7.3876
    -7.3481  -7.0600  -6.9776  -6.8187  -6.7391  -6.6268  -6.5813  -6.4967
    -4.4392  -3.6217  -3.4524  -3.3954  -3.2732  -3.1954  -2.8900  -2.7564
    -2.6611  -2.5655  -2.2554  -2.2119   7.5620   7.7227   7.7693   7.8605
     8.3314   8.3926   8.7132   8.7581   8.8499   8.8592   8.9163   9.1720
     9.3258   9.3736   9.4879   9.5037   9.6638   9.8604   9.9873  10.1658
    10.3845  10.4877  10.6926  10.8425  10.9615  11.2512  11.2797  11.4953
    11.5274  11.6384  11.7111  11.8040  11.9049  12.1827  12.2507  12.3794
    14.0654  14.0893  14.1745  14.2703  14.7270  15.0188  16.7487  16.8089
    17.0758  17.0966  17.1626  17.5149  17.7674  17.9683  18.1329  18.6426
    18.9695  19.2262  19.3010  19.6972  19.8024  19.9085  20.0539

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.2000 0.0000 0.2768 (  5558 PWs)   bands (ev):

   -57.1702 -57.1700 -54.4196 -54.4194 -28.9658 -28.9587 -28.9212 -28.9201
   -28.8760 -28.8725 -26.4317 -26.4080 -26.3408 -26.3286 -26.2749 -26.2570
   -26.2506 -26.2323 -26.2015 -26.2012  -7.6270  -7.5891  -7.4679  -7.3996
    -7.3917  -7.2104  -6.9120  -6.8633  -6.7529  -6.6223  -6.6050  -6.5919
    -4.1146  -3.7524  -3.4887  -3.3414  -3.3373  -3.2579  -2.9036  -2.8292
    -2.5309  -2.4497  -2.3487  -2.2932   7.7109   7.7763   7.9286   8.1171
     8.2093   8.4876   8.5457   8.6486   8.9120   8.9414   8.9733   9.0819
     9.2692   9.3329   9.4756   9.5214   9.5632   9.8805  10.0544  10.0854
    10.2200  10.3707  10.5415  10.6706  10.9487  11.1183  11.4985  11.5249
    11.6361  11.6508  11.7570  11.8867  11.9747  12.0935  12.1073  12.2722
    14.1303  14.1850  14.3460  14.4812  14.6270  14.7806  16.7921  16.8289
    17.1633  17.2557  17.3046  17.4774  17.7502  17.9864  18.0895  18.2167
    19.1284  19.2185  19.4779  19.6529  19.7625  19.8858  19.9884

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.2000 0.2345 0.0000 (  5545 PWs)   bands (ev):

   -57.1705 -57.1697 -54.4199 -54.4190 -28.9742 -28.9512 -28.9228 -28.9189
   -28.8797 -28.8680 -26.4532 -26.3852 -26.3278 -26.3230 -26.3021 -26.2837
   -26.2360 -26.2071 -26.2045 -26.2032  -7.7781  -7.6203  -7.5257  -7.3936
    -7.1805  -7.1374  -7.0926  -7.0747  -6.6476  -6.5819  -6.5320  -6.4890
    -4.2794  -3.5198  -3.4817  -3.3637  -3.2729  -3.0128  -2.8699  -2.7686
    -2.7021  -2.6398  -2.4143  -2.2002   7.6288   7.7044   7.9014   7.9944
     8.1067   8.2691   8.5890   8.7162   8.7520   8.7891   9.0508   9.0971
     9.3315   9.4720   9.4936   9.6084   9.6432   9.9175  10.1244  10.1472
    10.3552  10.5670  10.7296  10.7405  10.8600  11.0247  11.2126  11.4337
    11.4537  11.4748  11.7527  11.7720  11.8664  12.0736  12.2874  12.3224
    13.9353  14.1730  14.4398  14.5140  14.6617  15.0601  16.5150  16.9069
    17.0231  17.2153  17.2826  17.6824  17.7256  18.0171  18.0173  18.7973
    18.8129  19.1449  19.4543  19.6121  19.6140  19.9842  20.1032

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.2000 0.2345 0.1384 (  5565 PWs)   bands (ev):

   -57.1704 -57.1698 -54.4199 -54.4191 -28.9718 -28.9532 -28.9225 -28.9193
   -28.8787 -28.8693 -26.4466 -26.3877 -26.3447 -26.3292 -26.2867 -26.2717
   -26.2413 -26.2118 -26.2033 -26.2028  -7.7577  -7.5814  -7.5315  -7.3775
    -7.1966  -7.1218  -7.1083  -7.0437  -6.7385  -6.5773  -6.5439  -6.5348
    -4.1661  -3.4899  -3.4641  -3.3568  -3.2711  -2.9847  -2.9517  -2.8189
    -2.6877  -2.6462  -2.4205  -2.2262   7.7169   7.7585   7.8379   8.1284
     8.2007   8.2944   8.5862   8.7640   8.8021   8.8118   9.0130   9.0555
     9.2878   9.4247   9.4415   9.5326   9.6970   9.7851   9.9458  10.2715
    10.3049  10.5893  10.6063  10.6567  10.9301  11.0598  11.1379  11.4306
    11.4712  11.5981  11.7559  11.8184  11.8650  12.0402  12.1724  12.3053
    14.0642  14.2177  14.4503  14.5074  14.7206  14.9484  16.5736  16.9137
    17.0699  17.2391  17.3832  17.6592  17.7295  17.9733  18.0134  18.6080
    18.8737  19.2147  19.4564  19.5441  19.6881  20.0026  20.0494

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.2000 0.2345 0.2768 (  5569 PWs)   bands (ev):

   -57.1702 -57.1700 -54.4196 -54.4194 -28.9658 -28.9586 -28.9215 -28.9203
   -28.8761 -28.8725 -26.4285 -26.4043 -26.3509 -26.3416 -26.2699 -26.2544
   -26.2469 -26.2257 -26.2020 -26.2016  -7.6995  -7.6214  -7.4275  -7.3409
    -7.2052  -7.1911  -7.0960  -6.9926  -6.8342  -6.6807  -6.5657  -6.5501
    -3.9035  -3.6284  -3.3520  -3.2931  -3.2232  -3.1286  -2.9468  -2.9150
    -2.6866  -2.6482  -2.3940  -2.3028   7.8386   7.8604   7.9361   8.1199
     8.3110   8.4104   8.6111   8.7148   8.8665   8.9246   9.0373   9.1268
     9.1798   9.3013   9.3791   9.4544   9.5123   9.7562   9.9610  10.1186
    10.2081  10.3333  10.5131  10.8001  10.8339  11.0156  11.2900  11.4719
    11.5010  11.6010  11.7294  11.8125  11.9260  12.0177  12.1602  12.2341
    14.3408  14.3825  14.4623  14.5230  14.6586  14.6901  16.7117  16.8500
    17.2179  17.3824  17.4780  17.6301  17.7232  17.9509  17.9873  18.1911
    19.0996  19.3149  19.4116  19.5587  19.7027  19.8768  20.0637

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.2000-0.4691 0.0000 (  5578 PWs)   bands (ev):

   -57.1705 -57.1697 -54.4199 -54.4190 -28.9741 -28.9512 -28.9231 -28.9189
   -28.8799 -28.8680 -26.4569 -26.3784 -26.3326 -26.3279 -26.2999 -26.2837
   -26.2359 -26.2072 -26.2045 -26.1978  -7.7285  -7.7017  -7.3938  -7.3680
    -7.3655  -7.3613  -6.8521  -6.8398  -6.7385  -6.7274  -6.5879  -6.5781
    -3.6200  -3.5901  -3.5277  -3.5206  -3.2029  -3.1315  -2.7959  -2.7760
    -2.6301  -2.6266  -2.4591  -2.3944   7.7505   7.7741   7.9221   8.0172
     8.1073   8.2039   8.5520   8.6952   8.7880   8.9252   9.2126   9.2578
     9.2703   9.3524   9.3817   9.5788   9.5835   9.9291  10.0835  10.1856
    10.2101  10.2895  10.4041  10.5694  10.8707  10.9415  11.3754  11.4272
    11.4443  11.4816  11.7455  11.8643  11.9240  11.9436  12.1072  12.1782
    14.0675  14.1853  14.5913  14.6572  14.7075  15.0401  16.8288  16.9164
    17.0482  17.1453  17.4997  17.5380  17.8482  17.8759  17.9869  18.5768
    18.7543  19.0207  19.5767  19.6670  19.7079  20.1852  20.2866

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.2000-0.4691 0.1384 (  5584 PWs)   bands (ev):

   -57.1704 -57.1698 -54.4199 -54.4191 -28.9717 -28.9532 -28.9228 -28.9194
   -28.8789 -28.8693 -26.4491 -26.3758 -26.3568 -26.3334 -26.2920 -26.2645
   -26.2416 -26.2073 -26.2033 -26.2012  -7.7072  -7.6810  -7.4517  -7.4300
    -7.2755  -7.2727  -6.8510  -6.8382  -6.7586  -6.7446  -6.6465  -6.6400
    -3.5752  -3.5530  -3.4504  -3.4405  -3.1846  -3.1258  -2.8631  -2.8530
    -2.6450  -2.6316  -2.4893  -2.4301   7.7788   7.8135   8.0723   8.0759
     8.1193   8.2420   8.5405   8.7240   8.8873   8.9925   9.1115   9.1440
     9.2197   9.3642   9.4799   9.5341   9.5537   9.7651   9.9447   9.9857
    10.1155  10.2085  10.7089  10.7964  10.8386  10.9245  11.2941  11.3118
    11.4795  11.5115  11.7295  11.8306  11.9108  11.9267  12.0983  12.1682
    14.1499  14.2413  14.6189  14.6904  14.7196  14.9327  16.9092  16.9756
    17.0963  17.2336  17.4800  17.5585  17.7978  17.8403  17.9645  18.4455
    18.8298  19.0601  19.4378  19.6547  19.8855  20.0883  20.1505

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.2000-0.4691 0.2768 (  5574 PWs)   bands (ev):

   -57.1702 -57.1700 -54.4196 -54.4194 -28.9657 -28.9586 -28.9218 -28.9205
   -28.8762 -28.8726 -26.4271 -26.3954 -26.3632 -26.3493 -26.2745 -26.2572
   -26.2366 -26.2165 -26.2030 -26.2023  -7.6417  -7.6166  -7.5450  -7.5210
    -7.1059  -7.1000  -6.9159  -6.9071  -6.7816  -6.7718  -6.7407  -6.7358
    -3.4447  -3.4206  -3.3504  -3.3256  -3.1490  -3.1322  -3.0168  -3.0031
    -2.6457  -2.6123  -2.5678  -2.5202   7.8834   7.9404   8.0195   8.0809
     8.3788   8.4783   8.5861   8.8128   8.8684   8.9461   9.0267   9.0797
     9.1637   9.2257   9.3765   9.4552   9.6376   9.6707   9.8384   9.8930
    10.1741  10.2608  10.4740  10.5351  10.9624  11.0653  11.2286  11.2569
    11.5070  11.5353  11.7335  11.7550  11.9672  12.0080  12.0677  12.1103
    14.3479  14.4492  14.6341  14.6499  14.6636  14.7221  17.0785  17.1245
    17.2291  17.3807  17.4257  17.4815  17.7602  17.8238  17.9007  18.1442
    19.0307  19.1918  19.3063  19.5883  19.9285  20.0070  20.1646

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.4000 0.0000 0.0000 (  5552 PWs)   bands (ev):

   -57.1705 -57.1698 -54.4199 -54.4190 -28.9740 -28.9512 -28.9232 -28.9189
   -28.8797 -28.8680 -26.4481 -26.3914 -26.3279 -26.3260 -26.2970 -26.2837
   -26.2473 -26.2146 -26.2046 -26.1844  -7.6537  -7.5343  -7.4867  -7.3160
    -7.2905  -7.1612  -7.1328  -7.1091  -6.8725  -6.8192  -6.5505  -6.4882
    -3.8704  -3.4597  -3.4289  -3.3983  -3.1017  -2.9282  -2.8019  -2.7480
    -2.7167  -2.7129  -2.4725  -2.3716   7.4754   7.7724   7.7914   8.0869
     8.3062   8.3991   8.5455   8.6614   8.8105   8.8348   9.0331   9.2357
     9.3659   9.3900   9.5160   9.5691   9.7100   9.7627   9.8155  10.0027
    10.3711  10.4257  10.6102  10.8716  10.8945  11.0346  11.3091  11.3247
    11.3690  11.4178  11.5381  11.6683  11.9257  12.0167  12.1451  12.2235
    14.2175  14.2320  14.2451  14.5280  14.7774  15.1447  16.8415  16.8689
    17.0977  17.0977  17.3521  17.6672  17.8056  17.9633  18.1328  18.8504
    19.0114  19.2514  19.4147  19.5752  19.6600  20.1226  20.2505

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.4000 0.0000 0.1384 (  5551 PWs)   bands (ev):

   -57.1704 -57.1698 -54.4199 -54.4191 -28.9716 -28.9532 -28.9228 -28.9193
   -28.8788 -28.8693 -26.4418 -26.3873 -26.3598 -26.3175 -26.2935 -26.2679
   -26.2474 -26.2199 -26.2034 -26.1865  -7.6281  -7.4918  -7.4777  -7.3305
    -7.2968  -7.1421  -7.1347  -7.1089  -6.8657  -6.8466  -6.6024  -6.5372
    -3.7868  -3.4430  -3.3791  -3.3322  -3.1375  -2.9396  -2.8253  -2.8050
    -2.7882  -2.7150  -2.4531  -2.3712   7.5264   7.6605   7.9589   8.1896
     8.2893   8.4579   8.6065   8.6666   8.7701   8.9331   9.0171   9.1365
     9.3524   9.4308   9.5048   9.5956   9.7100   9.7641   9.8232   9.8665
    10.1273  10.3867  10.5765  10.7549  10.8549  11.0192  11.2843  11.3139
    11.3673  11.5053  11.6972  11.7841  11.8475  12.0009  12.1176  12.2545
    14.2522  14.2685  14.3088  14.5001  14.8072  15.0429  16.8586  16.9058
    17.1234  17.2724  17.3399  17.7102  17.7409  17.9655  18.0988  18.8078
    18.9199  19.3131  19.3891  19.5447  19.6320  19.9154  20.0005

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.4000 0.0000 0.2768 (  5562 PWs)   bands (ev):

   -57.1702 -57.1700 -54.4196 -54.4194 -28.9657 -28.9586 -28.9217 -28.9204
   -28.8761 -28.8725 -26.4239 -26.3983 -26.3655 -26.3437 -26.2650 -26.2522
   -26.2506 -26.2347 -26.1990 -26.1921  -7.5615  -7.4921  -7.3996  -7.3455
    -7.2889  -7.2169  -7.1222  -7.0687  -6.8587  -6.8377  -6.6913  -6.6553
    -3.5846  -3.4040  -3.2796  -3.2741  -3.1697  -3.0487  -2.9319  -2.9195
    -2.7673  -2.7214  -2.4279  -2.3926   7.6493   7.7752   7.8306   8.0313
     8.5626   8.6028   8.7285   8.7703   8.8720   8.9627   9.0846   9.1766
     9.2333   9.4064   9.4398   9.5359   9.6052   9.7181   9.8050   9.9069
     9.9743  10.1166  10.3356  10.3852  10.8754  10.9610  11.3249  11.3813
    11.5077  11.5597  11.8660  11.8863  11.9386  11.9795  12.0823  12.1750
    14.2938  14.3414  14.4511  14.5906  14.7079  14.8195  16.8932  16.9250
    17.2841  17.4337  17.5202  17.5810  17.7848  17.9872  18.0400  18.3246
    19.2062  19.3466  19.4006  19.5391  19.5544  19.7464  19.8514

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.4000 0.2345 0.0000 (  5556 PWs)   bands (ev):

   -57.1705 -57.1697 -54.4199 -54.4190 -28.9739 -28.9512 -28.9236 -28.9190
   -28.8799 -28.8681 -26.4477 -26.4017 -26.3279 -26.3137 -26.3027 -26.2838
   -26.2494 -26.2063 -26.2046 -26.1859  -7.8565  -7.7377  -7.4970  -7.4577
    -7.3686  -7.2709  -6.9176  -6.8124  -6.6335  -6.5941  -6.5646  -6.5315
    -3.8268  -3.5993  -3.5544  -3.3569  -3.3368  -3.1877  -2.7643  -2.6135
    -2.5810  -2.5809  -2.4377  -2.2504   7.5614   7.6529   7.7706   7.7762
     8.0225   8.3517   8.6928   8.7660   8.7830   8.9243   9.1444   9.1749
     9.2563   9.3978   9.5088   9.6586   9.6739   9.7908  10.1788  10.2158
    10.2477  10.5106  10.5762  10.7918  10.9307  10.9795  10.9938  11.2236
    11.2615  11.4400  11.6463  11.6546  11.9141  12.0946  12.1089  12.1830
    13.9807  14.2156  14.5268  14.6175  14.7001  15.0777  16.6086  17.0278
    17.0506  17.1296  17.2563  17.5707  17.9451  17.9788  18.1158  18.6508
    18.9036  19.1388  19.5240  19.6135  19.8356  20.0797  20.1385

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.4000 0.2345 0.1384 (  5554 PWs)   bands (ev):

   -57.1704 -57.1698 -54.4199 -54.4191 -28.9716 -28.9532 -28.9232 -28.9194
   -28.8789 -28.8694 -26.4411 -26.3974 -26.3534 -26.3266 -26.2829 -26.2717
   -26.2477 -26.2122 -26.2029 -26.1879  -7.8306  -7.7193  -7.5340  -7.4528
    -7.3483  -7.2261  -6.9073  -6.8261  -6.6815  -6.6168  -6.5899  -6.5597
    -3.7782  -3.5337  -3.5095  -3.3467  -3.2831  -3.1708  -2.8345  -2.7437
    -2.6191  -2.5955  -2.3862  -2.2567   7.5959   7.6138   7.8615   7.9969
     8.0453   8.3569   8.6680   8.7746   8.8475   8.9845   9.0222   9.1514
     9.2710   9.3909   9.5246   9.6059   9.6557   9.7814   9.8996  10.0076
    10.2250  10.5171  10.5704  10.8143  10.9550  11.0149  11.1123  11.2121
    11.2974  11.5066  11.5344  11.8008  11.8478  12.0305  12.0439  12.1625
    14.0940  14.2758  14.5459  14.6101  14.7480  14.9726  16.6651  17.0216
    17.1012  17.2428  17.2769  17.6121  17.8851  17.9730  18.0689  18.5251
    18.9834  19.1908  19.5135  19.5409  19.7932  20.0158  20.2144

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.4000 0.2345 0.2768 (  5560 PWs)   bands (ev):

   -57.1702 -57.1700 -54.4196 -54.4194 -28.9656 -28.9586 -28.9220 -28.9206
   -28.8762 -28.8726 -26.4225 -26.3985 -26.3700 -26.3516 -26.2619 -26.2589
   -26.2418 -26.2256 -26.1995 -26.1934  -7.7592  -7.6881  -7.5934  -7.5287
    -7.2138  -7.1474  -6.9015  -6.8616  -6.7886  -6.7048  -6.6038  -6.5819
    -3.6490  -3.5272  -3.3247  -3.2990  -3.2206  -3.1017  -3.0138  -2.9451
    -2.6640  -2.6417  -2.3338  -2.2866   7.6827   7.7588   7.8485   7.9659
     8.3823   8.5166   8.6692   8.7836   8.8692   8.9890   9.0616   9.1045
     9.1878   9.2746   9.3795   9.5043   9.6319   9.6773   9.8794   9.9460
    10.2004  10.2477  10.5915  10.6670  10.8530  10.8941  11.2822  11.3169
    11.4448  11.5332  11.6314  11.7253  11.8401  11.9452  12.0682  12.1399
    14.3499  14.4461  14.5391  14.6199  14.6694  14.7613  16.7939  16.9306
    17.2779  17.3796  17.5080  17.5644  17.8279  17.9606  17.9782  18.1860
    19.2067  19.3126  19.4249  19.5023  19.7560  19.8292  20.0876

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.4000-0.4691 0.0000 (  5564 PWs)   bands (ev):

   -57.1705 -57.1697 -54.4199 -54.4190 -28.9739 -28.9512 -28.9240 -28.9190
   -28.8801 -28.8681 -26.4523 -26.4010 -26.3279 -26.3119 -26.3019 -26.2838
   -26.2555 -26.2046 -26.1973 -26.1861  -7.9575  -7.9283  -7.5709  -7.5421
    -7.3149  -7.3091  -6.6148  -6.6065  -6.5959  -6.5838  -6.5252  -6.5193
    -3.6848  -3.6767  -3.6248  -3.5915  -3.4345  -3.3744  -2.6631  -2.6199
    -2.4929  -2.4920  -2.2943  -2.2201   7.4938   7.5624   7.6387   7.7858
     8.0470   8.1415   8.5301   8.8127   8.9469   8.9851   9.0097   9.1130
     9.5086   9.5353   9.5471   9.6885   9.7623  10.0337  10.0338  10.1380
    10.4299  10.4894  10.5015  10.5143  10.5486  10.8654  11.0128  11.0456
    11.5267  11.5418  11.8387  11.8653  12.0039  12.0338  12.0394  12.0754
    13.9298  13.9941  14.5552  14.6803  14.6931  15.0592  16.6345  16.8451
    16.9540  17.0446  17.3970  17.6109  17.8440  18.0419  18.1667  18.4484
    18.9377  19.1154  19.5102  19.5345  20.0853  20.1932  20.2256

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.4000-0.4691 0.1384 (  5554 PWs)   bands (ev):

   -57.1704 -57.1698 -54.4199 -54.4191 -28.9715 -28.9532 -28.9235 -28.9195
   -28.8791 -28.8694 -26.4448 -26.3956 -26.3551 -26.3288 -26.2853 -26.2647
   -26.2536 -26.2044 -26.2017 -26.1883  -7.9287  -7.8998  -7.6180  -7.5894
    -7.2505  -7.2443  -6.6893  -6.6813  -6.5869  -6.5758  -6.5312  -6.5250
    -3.6823  -3.6761  -3.5248  -3.4922  -3.3975  -3.3611  -2.7795  -2.7489
    -2.4613  -2.4413  -2.3229  -2.2528   7.5925   7.6686   7.7379   7.8396
     8.0457   8.1463   8.5368   8.8280   8.9560   8.9795   9.0707   9.0869
     9.4194   9.4866   9.5425   9.5466   9.6475   9.8601   9.8767  10.0528
    10.3228  10.4941  10.5620  10.7380  10.8529  10.8998  11.0067  11.0402
    11.5668  11.6279  11.7079  11.7387  11.8771  11.9307  12.0343  12.0867
    14.0302  14.1317  14.6114  14.6868  14.6991  14.9717  16.7151  16.9337
    16.9793  17.0998  17.3579  17.6473  17.8420  17.9595  18.1246  18.3693
    19.0391  19.1603  19.4972  19.5763  20.0859  20.1719  20.2009

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k = 0.4000-0.4691 0.2768 (  5530 PWs)   bands (ev):

   -57.1702 -57.1700 -54.4196 -54.4194 -28.9656 -28.9586 -28.9223 -28.9208
   -28.8764 -28.8727 -26.4235 -26.3927 -26.3786 -26.3560 -26.2674 -26.2583
   -26.2354 -26.2148 -26.2011 -26.1944  -7.8461  -7.8175  -7.7283  -7.6998
    -7.0828  -7.0757  -6.8698  -6.8619  -6.5707  -6.5613  -6.5487  -6.5413
    -3.5974  -3.5768  -3.5093  -3.4668  -3.2321  -3.2050  -3.0009  -2.9726
    -2.4326  -2.3955  -2.3808  -2.3259   7.7833   7.8383   7.9062   7.9785
     8.1300   8.2571   8.4942   8.6825   8.8045   8.8860   8.9935   9.0640
     9.2751   9.3625   9.4303   9.4969   9.7469   9.8253   9.9644  10.0856
    10.2420  10.4058  10.5353  10.6317  10.8701  10.9410  11.0861  11.1437
    11.4435  11.5263  11.6749  11.6945  11.8869  11.9508  12.0080  12.0527
    14.2679  14.4215  14.5567  14.6088  14.7198  14.8096  16.9048  17.0100
    17.1112  17.1923  17.3526  17.5646  17.8597  17.9491  17.9789  18.1630
    19.2554  19.3746  19.4115  19.6161  20.1092  20.1215  20.1941

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k =-0.2000 0.2345 0.0000 (  5545 PWs)   bands (ev):

   -57.1705 -57.1697 -54.4199 -54.4190 -28.9742 -28.9512 -28.9227 -28.9188
   -28.8797 -28.8680 -26.4556 -26.3658 -26.3501 -26.3279 -26.2928 -26.2836
   -26.2351 -26.2092 -26.2045 -26.2012  -7.7949  -7.6200  -7.5406  -7.3856
    -7.1607  -7.1381  -7.0768  -7.0612  -6.6450  -6.5896  -6.5404  -6.4912
    -4.3082  -3.5187  -3.5163  -3.3682  -3.2940  -2.9448  -2.8272  -2.7696
    -2.6866  -2.6377  -2.4073  -2.2554   7.6418   7.7852   7.8753   7.9406
     8.1198   8.1845   8.5776   8.6340   8.8650   8.9616   9.0912   9.1037
     9.2331   9.3649   9.4200   9.5165   9.7864   9.8109  10.1136  10.2229
    10.4387  10.5920  10.7720  10.7790  10.8571  11.0019  11.2154  11.3962
    11.4749  11.5178  11.6789  11.7701  11.8499  12.0091  12.3137  12.3339
    13.9039  14.2765  14.2871  14.5288  14.7134  15.0932  16.8064  16.8145
    16.9334  17.2293  17.2984  17.4122  17.7763  17.8880  18.1642  18.7465
    18.9216  19.0932  19.3850  19.7281  19.8034  19.8084  20.0320

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k =-0.2000 0.2345-0.1384 (  5565 PWs)   bands (ev):

   -57.1704 -57.1698 -54.4199 -54.4191 -28.9718 -28.9532 -28.9224 -28.9192
   -28.8788 -28.8693 -26.4488 -26.3716 -26.3622 -26.3215 -26.2985 -26.2642
   -26.2419 -26.2115 -26.2032 -26.2023  -7.7747  -7.5897  -7.5383  -7.3678
    -7.1803  -7.1167  -7.0905  -7.0356  -6.7377  -6.5851  -6.5462  -6.5415
    -4.1971  -3.5333  -3.4721  -3.3492  -3.2850  -2.9288  -2.9063  -2.7844
    -2.6922  -2.6418  -2.4226  -2.2797   7.7073   7.8275   7.9066   8.0587
     8.1319   8.2677   8.5789   8.6165   8.8435   9.0103   9.0771   9.1386
     9.1709   9.3406   9.3982   9.4984   9.5938   9.8579   9.9410  10.2861
    10.4470  10.5221  10.6665  10.7688  10.9508  11.0131  11.1109  11.3782
    11.5201  11.5948  11.7449  11.7880  11.8440  11.9909  12.1763  12.2984
    14.0398  14.3149  14.3333  14.5091  14.7516  14.9932  16.8404  16.8896
    16.9958  17.2612  17.3566  17.4132  17.6856  17.9006  18.1449  18.5933
    18.9483  19.1798  19.3668  19.6879  19.7934  19.8725  20.0293

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k =-0.2000 0.2345-0.2768 (  5569 PWs)   bands (ev):

   -57.1702 -57.1700 -54.4196 -54.4194 -28.9658 -28.9586 -28.9215 -28.9203
   -28.8761 -28.8725 -26.4299 -26.4024 -26.3520 -26.3367 -26.2790 -26.2582
   -26.2412 -26.2225 -26.2022 -26.2017  -7.7170  -7.6396  -7.4198  -7.3290
    -7.1963  -7.1805  -7.0797  -6.9880  -6.8340  -6.6808  -6.5736  -6.5579
    -3.9420  -3.6797  -3.3498  -3.2856  -3.2308  -3.1113  -2.8843  -2.8620
    -2.6732  -2.6299  -2.4292  -2.3527   7.8520   7.9417   7.9710   8.0953
     8.2877   8.3851   8.5089   8.6248   8.8676   9.0157   9.0240   9.0855
     9.1746   9.2681   9.3912   9.4658   9.5410   9.7659  10.0059  10.0698
    10.2501  10.4322  10.5529  10.8147  10.8671  11.0064  11.2811  11.3634
    11.5720  11.6453  11.7056  11.7715  11.8955  11.9907  12.1334  12.1900
    14.3310  14.3798  14.4608  14.5145  14.6607  14.7625  16.9517  16.9956
    17.1465  17.2611  17.3417  17.4470  17.7163  17.9390  18.0552  18.2289
    19.1003  19.2475  19.4247  19.6515  19.8430  19.8812  19.9303

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k =-0.4000 0.2345 0.0000 (  5556 PWs)   bands (ev):

   -57.1705 -57.1697 -54.4199 -54.4190 -28.9739 -28.9512 -28.9235 -28.9189
   -28.8799 -28.8681 -26.4499 -26.3951 -26.3279 -26.3264 -26.2954 -26.2837
   -26.2480 -26.2075 -26.2046 -26.1851  -7.8733  -7.7236  -7.5150  -7.4573
    -7.3490  -7.2715  -6.9051  -6.8030  -6.6398  -6.5912  -6.5741  -6.5342
    -3.8590  -3.5942  -3.5598  -3.4108  -3.3356  -3.1043  -2.7582  -2.6181
    -2.5761  -2.5649  -2.3982  -2.3154   7.5488   7.6884   7.7910   7.7957
     8.0565   8.1855   8.6157   8.7331   8.9420   8.9736   9.1044   9.2020
     9.2273   9.3826   9.4955   9.5822   9.8305   9.8530  10.1451  10.2629
    10.2755  10.4311  10.5479  10.7535  10.7879  10.9622  11.0153  11.2808
    11.3056  11.4657  11.6776  11.6778  11.9687  12.0003  12.0549  12.2419
    14.0333  14.1991  14.3804  14.6306  14.7690  15.0977  16.8134  16.9399
    16.9697  17.0028  17.4483  17.5430  17.8333  17.9344  18.1873  18.6408
    18.8897  19.1304  19.4044  19.7953  19.9407  19.9687  20.2655

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k =-0.4000 0.2345-0.1384 (  5554 PWs)   bands (ev):

   -57.1704 -57.1698 -54.4199 -54.4191 -28.9716 -28.9532 -28.9231 -28.9194
   -28.8790 -28.8694 -26.4431 -26.3893 -26.3616 -26.3202 -26.2951 -26.2627
   -26.2486 -26.2128 -26.2029 -26.1873  -7.8478  -7.7067  -7.5506  -7.4381
    -7.3435  -7.2254  -6.8956  -6.8151  -6.6837  -6.6219  -6.5905  -6.5684
    -3.8075  -3.5419  -3.5123  -3.4034  -3.2699  -3.0947  -2.8157  -2.7485
    -2.6141  -2.5675  -2.3745  -2.3124   7.5655   7.6756   7.8660   8.0236
     8.0939   8.1977   8.6180   8.7510   8.9116   8.9586   9.1083   9.1663
     9.2489   9.4018   9.4615   9.5784   9.6537   9.8858   9.9538  10.0339
    10.1857  10.5115  10.5964  10.7852  10.9140  10.9380  11.1185  11.1668
    11.3557  11.5090  11.6086  11.7936  11.8422  11.9810  12.0531  12.1859
    14.1384  14.2616  14.4216  14.6172  14.8100  14.9938  16.8815  16.9952
    17.0141  17.0729  17.3969  17.6109  17.8097  17.8945  18.1484  18.5342
    18.9776  19.1834  19.3832  19.7267  19.8473  19.9256  20.1612

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

          k =-0.4000 0.2345-0.2768 (  5560 PWs)   bands (ev):

   -57.1702 -57.1700 -54.4196 -54.4194 -28.9656 -28.9586 -28.9220 -28.9206
   -28.8763 -28.8726 -26.4239 -26.3954 -26.3729 -26.3485 -26.2706 -26.2552
   -26.2405 -26.2241 -26.1995 -26.1932  -7.7767  -7.6954  -7.5881  -7.5103
    -7.2147  -7.1463  -6.8914  -6.8521  -6.7876  -6.7032  -6.6117  -6.5904
    -3.6778  -3.5556  -3.3477  -3.3132  -3.2123  -3.0548  -3.0041  -2.8973
    -2.6522  -2.6219  -2.3499  -2.3250   7.6878   7.7820   7.8571   7.9733
     8.3512   8.5380   8.6047   8.7878   8.8353   8.9611   9.0547   9.0716
     9.2105   9.2946   9.4172   9.4663   9.6139   9.7426   9.8899  10.0815
    10.1797  10.2541  10.5522  10.6454  10.8295  10.8943  11.2798  11.3115
    11.4874  11.5714  11.6259  11.6596  11.7965  11.9522  12.0720  12.1460
    14.3773  14.4207  14.4720  14.6210  14.7328  14.7718  16.9825  17.0406
    17.1939  17.2260  17.3554  17.5615  17.8755  17.9100  18.0250  18.2349
    19.2050  19.2999  19.3888  19.6230  19.6758  19.8216  20.0905

     occupation numbers 
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   1.0000
     1.0000   1.0000   1.0000   1.0000   1.0000   1.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
     0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000

     the Fermi energy is    15.8298 ev

!    total energy              =   -1462.85154684 Ry
     Harris-Foulkes estimate   =   -1462.85154702 Ry
     estimated scf accuracy    <       0.00000034 Ry

     The total energy is the sum of the following terms:

     one-electron contribution =    -390.56332616 Ry
     hartree contribution      =     309.62773539 Ry
     xc contribution           =    -287.59088428 Ry
     ewald contribution        =   -1094.56769272 Ry
     Hubbard energy            =       0.24262094 Ry
     smearing contrib. (-TS)   =      -0.00000000 Ry

     total magnetization       =    -0.00 Bohr mag/cell
     absolute magnetization    =    11.40 Bohr mag/cell

     convergence has been achieved in  13 iterations

     Writing output data file YCrO3.save/

     init_run     :    142.13s CPU     26.96s WALL (       1 calls)
     electrons    :  15662.80s CPU   2620.30s WALL (       1 calls)

     Called by init_run:
     wfcinit      :    135.19s CPU     23.62s WALL (       1 calls)
     wfcinit:atom :      0.99s CPU      0.15s WALL (      66 calls)
     wfcinit:wfcr :    118.72s CPU     19.94s WALL (      66 calls)
     potinit      :      0.98s CPU      0.83s WALL (       1 calls)
     hinit0       :      2.55s CPU      1.76s WALL (       1 calls)

     Called by electrons:
     c_bands      :  15025.29s CPU   2511.58s WALL (      13 calls)
     sum_band     :    592.77s CPU     99.81s WALL (      13 calls)
     v_of_rho     :      1.36s CPU      0.25s WALL (      14 calls)
     v_h          :      0.38s CPU      0.06s WALL (      14 calls)
     v_xc         :      0.98s CPU      0.19s WALL (      14 calls)
     newd         :     44.44s CPU      8.82s WALL (      14 calls)
     mix_rho      :      1.39s CPU      0.30s WALL (      13 calls)

     Called by c_bands:
     init_us_2    :     21.16s CPU      3.55s WALL (    1848 calls)
     ccgdiagg     :  13902.05s CPU   2324.03s WALL (     887 calls)
     wfcrot       :   1221.26s CPU    204.03s WALL (     887 calls)

     Called by sum_band:
     sum_band:bec :      0.97s CPU      0.15s WALL (     858 calls)
     addusdens    :     56.92s CPU     10.24s WALL (      13 calls)

     Called by *cgdiagg:
     h_psi        :  10378.30s CPU   1734.83s WALL (  267763 calls)
     s_psi        :   2443.35s CPU    409.58s WALL (  534705 calls)
     cdiaghg      :     30.27s CPU      5.06s WALL (     887 calls)

     Called by h_psi:
     h_psi:pot    :   9989.89s CPU   1669.48s WALL (  267763 calls)
     h_psi:calbec :   1332.18s CPU    224.20s WALL (  267763 calls)
     vloc_psi     :   3984.69s CPU    665.91s WALL (  267763 calls)
     add_vuspsi   :   4666.20s CPU    778.64s WALL (  267763 calls)
     vhpsi        :    368.89s CPU     61.86s WALL (  267763 calls)
     h_1psi       :  10557.64s CPU   1765.34s WALL (  266876 calls)

     General routines
     calbec       :   2665.16s CPU    448.70s WALL (  804184 calls)
     fft          :      1.89s CPU      0.47s WALL (     150 calls)
     ffts         :      0.35s CPU      0.07s WALL (      54 calls)
     fftw         :   4218.72s CPU    705.23s WALL (  809732 calls)
     interpolate  :      0.61s CPU      0.14s WALL (      28 calls)
     davcio       :      0.01s CPU      0.04s WALL (      66 calls)


     Hubbard U routines
     new_ns       :      8.06s CPU      1.35s WALL (      13 calls)
     vhpsi        :    368.89s CPU     61.86s WALL (  267763 calls)

     PWSCF        :     4h23m CPU    44m 7.81s WALL


   This run was terminated on:  14:58:32  12Nov2018            

=------------------------------------------------------------------------------=
   JOB DONE.
=------------------------------------------------------------------------------=
